methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride

C12H23ClN2O4 — CID 119815286

IUPACmethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride
SMILESCOCC(C)(NC(=O)C1CCC(N)C1)C(=O)OC.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-12(7-17-2,11(16)18-3)14-10(15)8-4-5-9(13)6-8;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyQVMZEDKEQLASEE-UHFFFAOYSA-N
MW294.78 g/mol
LogP0.23
Rot. Bonds5

About methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride

methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride (PubChem CID 119815286) has the molecular formula C12H23ClN2O4 and a molecular weight of 294.78 g/mol. Its IUPAC name is methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride
PubChem CID119815286
Molecular FormulaC12H23ClN2O4
Molecular Weight294.78 g/mol
Exact Mass294.13
IUPAC Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride
SMILESCOCC(C)(NC(=O)C1CCC(N)C1)C(=O)OC.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-12(7-17-2,11(16)18-3)14-10(15)8-4-5-9(13)6-8;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyQVMZEDKEQLASEE-UHFFFAOYSA-N
XLogP0.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120637972
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120531853
N-(1-methoxy-2-methylpropan-2-yl)cyclopropanecarboxamide
CID 115606636
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
CID 119815297
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride (CID 119815286) is methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride is COCC(C)(NC(=O)C1CCC(N)C1)C(=O)OC.Cl.
What is the InChIKey of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride?
The InChIKey is QVMZEDKEQLASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.ClH/c1-12(7-17-2,11(16)18-3)14-10(15)8-4-5-9(13)6-8;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H.
What are the key properties of methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride?
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 119815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).