cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H15N3O3 — CID 120675402

IUPACcis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncncc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-7-10(5-13-6-14-7)11(16)15-9-3-2-8(4-9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1
InChIKeyWADRRJJQVPNRJT-DTWKUNHWSA-N
MW249.27 g/mol
LogP0.77
Rot. Bonds3

About cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675402) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675402
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namecis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncncc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-7-10(5-13-6-14-7)11(16)15-9-3-2-8(4-9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1
InChIKeyWADRRJJQVPNRJT-DTWKUNHWSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
(3R,6S)-N-cyclopropyl-6-[(4-methylpyrimidine-5-carbonyl)amino]-1-(oxan-4-yl)azepane-3-carboxamide
CID 171906568
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
CID 56882621
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521059

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675402) is cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ncncc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WADRRJJQVPNRJT-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-10(5-13-6-14-7)11(16)15-9-3-2-8(4-9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,17,18)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).