2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride

C60H112ClN3O8 — CID 158911630

IUPAC2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride
SMILESCCC1(CC)CC[C@@H](C)C1.CC[C@@]1(CC(=O)O)CC[C@@H](C)C1.CC[C@@]1(CN=C=O)CC[C@@H](C)C1.CC[C@@]1(CNC(C)=O)CC[C@@H](C)C1.CC[C@]1(CC(=O)O)CC[C@@H](C)C1.C[C@@H]1CC[C@](CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C11H21NO.C10H17NO.2C10H18O2.C10H20.C9H17NO2.ClH/c1-4-11(8-12-10(3)13)6-5-9(2)7-11;1-3-10(7-11-8-12)5-4-9(2)6-10;2*1-3-10(7-9(11)12)5-4-8(2)6-10;1-4-10(5-2)7-6-9(3)8-10;1-7-2-3-9(4-7,6-10)5-8(11)12;/h9H,4-8H2,1-3H3,(H,12,13);9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7H,2-6,10H2,1H3,(H,11,12);1H/t9-,11-;9-,10-;8-,10+;8-,10-;9-;7-,9-;/m111111./s1
InChIKeyLKYOYNUNDNRLDD-KRASGXLYSA-N
MW1039.02 g/mol
LogP15.49
Rot. Bonds17

About 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride

2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 158911630) has the molecular formula C60H112ClN3O8 and a molecular weight of 1039.02 g/mol. Its IUPAC name is 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride
PubChem CID158911630
Molecular FormulaC60H112ClN3O8
Molecular Weight1039.02 g/mol
Exact Mass1037.81
IUPAC Name2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride
SMILESCCC1(CC)CC[C@@H](C)C1.CC[C@@]1(CC(=O)O)CC[C@@H](C)C1.CC[C@@]1(CN=C=O)CC[C@@H](C)C1.CC[C@@]1(CNC(C)=O)CC[C@@H](C)C1.CC[C@]1(CC(=O)O)CC[C@@H](C)C1.C[C@@H]1CC[C@](CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C11H21NO.C10H17NO.2C10H18O2.C10H20.C9H17NO2.ClH/c1-4-11(8-12-10(3)13)6-5-9(2)7-11;1-3-10(7-11-8-12)5-4-9(2)6-10;2*1-3-10(7-9(11)12)5-4-8(2)6-10;1-4-10(5-2)7-6-9(3)8-10;1-7-2-3-9(4-7,6-10)5-8(11)12;/h9H,4-8H2,1-3H3,(H,12,13);9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7H,2-6,10H2,1H3,(H,11,12);1H/t9-,11-;9-,10-;8-,10+;8-,10-;9-;7-,9-;/m111111./s1
InChIKeyLKYOYNUNDNRLDD-KRASGXLYSA-N
XLogP15.49
TPSA196.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.02
LogP ≤ 515.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-[(1S,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;bis((3R)-1,1-diethyl-3-methylcyclopentane);2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;bis(2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid);N-[[(1S,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;trans-(1S,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane
CID 159619160
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetate
CID 59059766
[(3R)-1-(isocyanatomethyl)-3-methylcyclopentyl]methylbenzene
CID 90964575
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
2-[(1S,3S,6R)-3-(aminomethyl)-3-bicyclo[4.2.0]octanyl]acetic acid
CID 57438053
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
ethane;1-(1-ethyl-3-methylcyclopentyl)-N-methylmethanamine
CID 144836512
2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
CID 58626989
2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid
CID 166313151

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride (CID 158911630) is 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride is CCC1(CC)CC[C@@H](C)C1.CC[C@@]1(CC(=O)O)CC[C@@H](C)C1.CC[C@@]1(CN=C=O)CC[C@@H](C)C1.CC[C@@]1(CNC(C)=O)CC[C@@H](C)C1.CC[C@]1(CC(=O)O)CC[C@@H](C)C1.C[C@@H]1CC[C@](CN)(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is LKYOYNUNDNRLDD-KRASGXLYSA-N. The full InChI is InChI=1S/C11H21NO.C10H17NO.2C10H18O2.C10H20.C9H17NO2.ClH/c1-4-11(8-12-10(3)13)6-5-9(2)7-11;1-3-10(7-11-8-12)5-4-9(2)6-10;2*1-3-10(7-9(11)12)5-4-8(2)6-10;1-4-10(5-2)7-6-9(3)8-10;1-7-2-3-9(4-7,6-10)5-8(11)12;/h9H,4-8H2,1-3H3,(H,12,13);9H,3-7H2,1-2H3;2*8H,3-7H2,1-2H3,(H,11,12);9H,4-8H2,1-3H3;7H,2-6,10H2,1H3,(H,11,12);1H/t9-,11-;9-,10-;8-,10+;8-,10-;9-;7-,9-;/m111111./s1.
What are the key properties of 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride?
2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 1039.02 g/mol, XLogP of 15.49, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid;cis-(1R,3R)-1-ethyl-1-(isocyanatomethyl)-3-methylcyclopentane;(3R)-1,1-diethyl-3-methylcyclopentane;2-[(1R,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;2-[(1S,3R)-1-ethyl-3-methylcyclopentyl]acetic acid;N-[[(1R,3R)-1-ethyl-3-methylcyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 158911630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).