7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid

C16H26N4O4 — CID 59929601

IUPAC7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid
SMILESCCC(CC(CC(CC(C)C(N)=O)n1ccnc1)C(=O)O)C(N)=O
InChIInChI=1S/C16H26N4O4/c1-3-11(15(18)22)7-12(16(23)24)8-13(6-10(2)14(17)21)20-5-4-19-9-20/h4-5,9-13H,3,6-8H2,1-2H3,(H2,17,21)(H2,18,22)(H,23,24)
InChIKeyIUIOGUYGJZFYKJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.93
Rot. Bonds11

About 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid

7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid (PubChem CID 59929601) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid
PubChem CID59929601
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid
SMILESCCC(CC(CC(CC(C)C(N)=O)n1ccnc1)C(=O)O)C(N)=O
InChIInChI=1S/C16H26N4O4/c1-3-11(15(18)22)7-12(16(23)24)8-13(6-10(2)14(17)21)20-5-4-19-9-20/h4-5,9-13H,3,6-8H2,1-2H3,(H2,17,21)(H2,18,22)(H,23,24)
InChIKeyIUIOGUYGJZFYKJ-UHFFFAOYSA-N
XLogP0.93
TPSA141.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
8-Imidazol-1-yl-2-methyl-octanoic acid; hydrochloride
CID 12870426
8-Imidazol-1-yl-8-methyl-nonanoic acid; hydrochloride
CID 12870495
(2S,4R)-2-amino-4-[3-[3-fluoropropyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]propyl]pentanedioic acid
CID 162352867
2-Amino-7-fluoro-4-[2-(2-nitroimidazol-1-yl)ethylcarbamoyl]heptanoic acid
CID 162352868
2-Amino-4-[3-[3-fluoropropyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]propyl]pentanedioic acid
CID 175396687
1-Butyl-3-(9-carboxydecyl)-1h-imidazol-3-ium bromide
CID 134822300
2-Ethyl-5-(3-imidazol-1-ylpropylamino)-4-methyl-5-oxopentanoic acid
CID 139244409
7-Imidazol-1-yl-6-methylheptanoic acid
CID 20521607
2-(3-Imidazol-1-ylpropyl)hexanoic acid
CID 20521616
8-Imidazol-1-yl-3-methyloctanoic acid
CID 20521631
8-Imidazol-1-yl-3-methyloctanoic acid;hydrochloride
CID 20521632

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid?
The IUPAC name of 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid (CID 59929601) is 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid.
What is the SMILES notation for 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid?
The canonical SMILES for 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid is CCC(CC(CC(CC(C)C(N)=O)n1ccnc1)C(=O)O)C(N)=O.
What is the InChIKey of 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid?
The InChIKey is IUIOGUYGJZFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-3-11(15(18)22)7-12(16(23)24)8-13(6-10(2)14(17)21)20-5-4-19-9-20/h4-5,9-13H,3,6-8H2,1-2H3,(H2,17,21)(H2,18,22)(H,23,24).
What are the key properties of 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid?
7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid has a molecular weight of 338.41 g/mol, XLogP of 0.93, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-carbamoylbutyl)-4-imidazol-1-yl-6-methyl-7-oxoheptanoic acid is sourced from PubChem (CID 59929601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).