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

C12H17N3O3 — CID 114092427

IUPACcis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,17,18)/t8-,9+/m1/s1
InChIKeyDFWYXYJDYVPBLV-BDAKNGLRSA-N
MW251.29 g/mol
LogP0.87
Rot. Bonds4

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

cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092427) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092427
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namecis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,17,18)/t8-,9+/m1/s1
InChIKeyDFWYXYJDYVPBLV-BDAKNGLRSA-N
XLogP0.87
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319786
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65160478

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092427) is cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid is CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DFWYXYJDYVPBLV-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(7-10-13-5-6-14-10)11(16)8-3-2-4-9(8)12(17)18/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).