cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid

C7H13NO3 — CID 70118967

IUPACcis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCN[C@@]1(C(=O)O)CCC[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-8-7(6(10)11)4-2-3-5(7)9/h5,8-9H,2-4H2,1H3,(H,10,11)/t5-,7-/m0/s1
InChIKeyPOKTTZQKDUVADO-FSPLSTOPSA-N
MW159.18 g/mol
LogP-0.43
Rot. Bonds2

About cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid

cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 70118967) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID70118967
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namecis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCN[C@@]1(C(=O)O)CCC[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-8-7(6(10)11)4-2-3-5(7)9/h5,8-9H,2-4H2,1H3,(H,10,11)/t5-,7-/m0/s1
InChIKeyPOKTTZQKDUVADO-FSPLSTOPSA-N
XLogP-0.43
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738
1-(methylamino)-2-[2-(2-methylpropylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79588230
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79582454
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 115561490
1-(methylamino)-2-[2-(oxetan-3-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79582619
1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
CID 15813568
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid (CID 70118967) is cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid is CN[C@@]1(C(=O)O)CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is POKTTZQKDUVADO-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-7(6(10)11)4-2-3-5(7)9/h5,8-9H,2-4H2,1H3,(H,10,11)/t5-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid?
cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).