cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H15N3O5 — CID 120678012

IUPACcis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)[nH]cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1=O
InChIInChI=1S/C12H15N3O5/c1-15-10(17)8(5-13-12(15)20)9(16)14-7-3-2-6(4-7)11(18)19/h5-7H,2-4H2,1H3,(H,13,20)(H,14,16)(H,18,19)/t6-,7+/m1/s1
InChIKeyXLMHWAASDBZXCG-RQJHMYQMSA-N
MW281.27 g/mol
LogP-0.94
Rot. Bonds3

About cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678012) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678012
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namecis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)[nH]cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1=O
InChIInChI=1S/C12H15N3O5/c1-15-10(17)8(5-13-12(15)20)9(16)14-7-3-2-6(4-7)11(18)19/h5-7H,2-4H2,1H3,(H,13,20)(H,14,16)(H,18,19)/t6-,7+/m1/s1
InChIKeyXLMHWAASDBZXCG-RQJHMYQMSA-N
XLogP-0.94
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676344
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025190
cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
N-cyclopropyl-N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 136513269
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678012) is cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1=O.
What is the InChIKey of cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XLMHWAASDBZXCG-RQJHMYQMSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-15-10(17)8(5-13-12(15)20)9(16)14-7-3-2-6(4-7)11(18)19/h5-7H,2-4H2,1H3,(H,13,20)(H,14,16)(H,18,19)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).