cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C12H15N3O3 — CID 114092674

IUPACcis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)Nc2ncccn2)[C@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-7-5-8(9(6-7)11(17)18)10(16)15-12-13-3-2-4-14-12/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,13,14,15,16)/t7?,8-,9+/m0/s1
InChIKeyMHAFTVKZSOIYTO-SXNZSPLWSA-N
MW249.27 g/mol
LogP1.16
Rot. Bonds3

About cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114092674) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114092674
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namecis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)Nc2ncccn2)[C@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-7-5-8(9(6-7)11(17)18)10(16)15-12-13-3-2-4-14-12/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,13,14,15,16)/t7?,8-,9+/m0/s1
InChIKeyMHAFTVKZSOIYTO-SXNZSPLWSA-N
XLogP1.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
(1R,6R)-6-(pyrimidin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 1224876
2-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390595
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114911800
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 107571616

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114092674) is cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)Nc2ncccn2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is MHAFTVKZSOIYTO-SXNZSPLWSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-5-8(9(6-7)11(17)18)10(16)15-12-13-3-2-4-14-12/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,13,14,15,16)/t7?,8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).