5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

C14H19N3O3 — CID 62933664

IUPAC5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-14(2,7-12(18)19)6-9(15)8-3-4-10-11(5-8)17-13(20)16-10/h3-5,9H,6-7,15H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJIBDFCOKHGFOOX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.75
Rot. Bonds5

About 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (PubChem CID 62933664) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
PubChem CID62933664
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-14(2,7-12(18)19)6-9(15)8-3-4-10-11(5-8)17-13(20)16-10/h3-5,9H,6-7,15H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJIBDFCOKHGFOOX-UHFFFAOYSA-N
XLogP1.75
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
CID 63019902
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 115420745
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanoic acid
CID 79735686
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
3-amino-4-(methylamino)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
CID 116957926
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The IUPAC name of 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (CID 62933664) is 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The canonical SMILES for 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is CC(C)(CC(=O)O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The InChIKey is JIBDFCOKHGFOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,7-12(18)19)6-9(15)8-3-4-10-11(5-8)17-13(20)16-10/h3-5,9H,6-7,15H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is sourced from PubChem (CID 62933664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).