2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

C14H22N4O3 — CID 61480558

IUPAC2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(Cn1ccnc1)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H22N4O3/c1-11(8-17-7-6-15-10-17)16-14(21)18(9-13(19)20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyCFHCWRQFYLIKMF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.31
Rot. Bonds6

About 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61480558) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID61480558
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(Cn1ccnc1)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H22N4O3/c1-11(8-17-7-6-15-10-17)16-14(21)18(9-13(19)20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyCFHCWRQFYLIKMF-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 71971414
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 61480558) is 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is CC(Cn1ccnc1)NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is CFHCWRQFYLIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11(8-17-7-6-15-10-17)16-14(21)18(9-13(19)20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61480558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).