methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride

C7H14ClNO3 — CID 68685176

IUPACmethyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)4-2-5(8)6(9)3-4;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1
InChIKeyJLSKFRSITPZRSS-GAJRHLONSA-N
MW195.65 g/mol
LogP-0.32
Rot. Bonds1

About methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride

methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride (PubChem CID 68685176) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
PubChem CID68685176
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(10)4-2-5(8)6(9)3-4;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1
InChIKeyJLSKFRSITPZRSS-GAJRHLONSA-N
XLogP-0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
CID 124583022
methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
CID 178190128
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
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 (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 178203019
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride (CID 68685176) is methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1.Cl.
What is the InChIKey of methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride?
The InChIKey is JLSKFRSITPZRSS-GAJRHLONSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-7(10)4-2-5(8)6(9)3-4;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1.
What are the key properties of methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride?
methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 68685176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).