cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid

C10H13N3O2 — CID 164653891

IUPACcis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1Nc1ncccn1
InChIInChI=1S/C10H13N3O2/c14-9(15)7-3-1-4-8(7)13-10-11-5-2-6-12-10/h2,5-8H,1,3-4H2,(H,14,15)(H,11,12,13)/t7-,8+/m1/s1
InChIKeyKPIWSEKKKAVXNI-SFYZADRCSA-N
MW207.23 g/mol
LogP1.14
Rot. Bonds3

About cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 164653891) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID164653891
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namecis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1Nc1ncccn1
InChIInChI=1S/C10H13N3O2/c14-9(15)7-3-1-4-8(7)13-10-11-5-2-6-12-10/h2,5-8H,1,3-4H2,(H,14,15)(H,11,12,13)/t7-,8+/m1/s1
InChIKeyKPIWSEKKKAVXNI-SFYZADRCSA-N
XLogP1.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 64817049
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106534894
2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
N-cyclobutylpyrimidin-2-amine
CID 45080152
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid (CID 164653891) is cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@@H]1Nc1ncccn1.
What is the InChIKey of cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KPIWSEKKKAVXNI-SFYZADRCSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)7-3-1-4-8(7)13-10-11-5-2-6-12-10/h2,5-8H,1,3-4H2,(H,14,15)(H,11,12,13)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164653891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).