methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate

C8H15NO3 — CID 124583022

IUPACmethyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](CN)[C@@H](O)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)5-2-6(4-9)7(10)3-5/h5-7,10H,2-4,9H2,1H3/t5-,6+,7-/m0/s1
InChIKeyYSMKUPFQMHWQJM-XVMARJQXSA-N
MW173.21 g/mol
LogP-0.49
Rot. Bonds2

About methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate

methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate (PubChem CID 124583022) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
PubChem CID124583022
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](CN)[C@@H](O)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)5-2-6(4-9)7(10)3-5/h5-7,10H,2-4,9H2,1H3/t5-,6+,7-/m0/s1
InChIKeyYSMKUPFQMHWQJM-XVMARJQXSA-N
XLogP-0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
CID 68685176
methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 178203019
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
3-hydroxy-5-methoxycarbonylcyclohexane-1-carboxylic acid
CID 67108290
cis-methyl (3R,4S)-3-cyano-4-hydroxycyclopentane-1-carboxylate
CID 58826450
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144

Frequently Asked Questions

What is the IUPAC name of methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate (CID 124583022) is methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate is COC(=O)[C@H]1C[C@H](CN)[C@@H](O)C1.
What is the InChIKey of methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is YSMKUPFQMHWQJM-XVMARJQXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)5-2-6(4-9)7(10)3-5/h5-7,10H,2-4,9H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate?
methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 124583022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).