cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H18N4O3 — CID 106319786

IUPACcis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-16(7-10-13-4-5-14-10)12(19)15-9-3-2-8(6-9)11(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18)/t8-,9+/m1/s1
InChIKeyGZPPAGYHCBINIL-BDAKNGLRSA-N
MW266.30 g/mol
LogP0.80
Rot. Bonds4

About cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319786) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319786
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namecis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-16(7-10-13-4-5-14-10)12(19)15-9-3-2-8(6-9)11(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18)/t8-,9+/m1/s1
InChIKeyGZPPAGYHCBINIL-BDAKNGLRSA-N
XLogP0.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031256
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 126427764
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319397
(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 155505877
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
cis-(1R,3S)-3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319508
cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319786) is cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1ncc[nH]1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GZPPAGYHCBINIL-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(7-10-13-4-5-14-10)12(19)15-9-3-2-8(6-9)11(17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,19)(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).