3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid

C14H22N4O3 — CID 61185270

IUPAC3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1CCC(NC(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-2-4-10(5-3-9)17-14(21)18-12(13(19)20)6-11-7-15-8-16-11/h7-10,12H,2-6H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21)
InChIKeyUNRYHJNBBPDSSG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.28
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid

3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 61185270) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID61185270
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1CCC(NC(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-2-4-10(5-3-9)17-14(21)18-12(13(19)20)6-11-7-15-8-16-11/h7-10,12H,2-6H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21)
InChIKeyUNRYHJNBBPDSSG-UHFFFAOYSA-N
XLogP1.28
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
CID 63279588
3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107864299
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methoxycyclopentyl)carbamoylamino]propanoic acid
CID 104895161
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
2-[(2-aminocyclohexyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61408332
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(2S)-2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61189713
3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 114010399
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864278
3-(1H-imidazol-5-yl)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107864239
(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
3-(1H-imidazol-5-yl)-2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330520

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid (CID 61185270) is 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid is CC1CCC(NC(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is UNRYHJNBBPDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-2-4-10(5-3-9)17-14(21)18-12(13(19)20)6-11-7-15-8-16-11/h7-10,12H,2-6H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61185270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).