1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

C14H22N4O3 — CID 107497150

IUPAC1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-2-6-18(8-11-3-4-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyACESTADXKACLFF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds8

About 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497150) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497150
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-2-6-18(8-11-3-4-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyACESTADXKACLFF-UHFFFAOYSA-N
XLogP1.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107498598
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497710
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-[[ethyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497894
1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498094
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497903
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497302
1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107497150) is 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is CCCN(CC1CC1)C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is ACESTADXKACLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-6-18(8-11-3-4-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).