2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid

C13H20N4O3 — CID 64519851

IUPAC2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H20N4O3/c1-16(8-11-14-6-7-15-11)13(20)17(9-12(18)19)10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyXEIDODXFEJANQB-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.29
Rot. Bonds5

About 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 64519851) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID64519851
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H20N4O3/c1-16(8-11-14-6-7-15-11)13(20)17(9-12(18)19)10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyXEIDODXFEJANQB-UHFFFAOYSA-N
XLogP1.29
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519075
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64516941
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 64518886
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid (CID 64519851) is 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid is CN(Cc1ncc[nH]1)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is XEIDODXFEJANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(8-11-14-6-7-15-11)13(20)17(9-12(18)19)10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 64519851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).