6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid

C13H17N3O3 — CID 43446952

IUPAC6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
SMILESNC(CCCCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c14-9(3-1-2-4-12(17)18)8-5-6-10-11(7-8)16-13(19)15-10/h5-7,9H,1-4,14H2,(H,17,18)(H2,15,16,19)
InChIKeyFNHHQOSRLHVNPW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.50
Rot. Bonds6

About 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid

6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid (PubChem CID 43446952) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
PubChem CID43446952
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
SMILESNC(CCCCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c14-9(3-1-2-4-12(17)18)8-5-6-10-11(7-8)16-13(19)15-10/h5-7,9H,1-4,14H2,(H,17,18)(H2,15,16,19)
InChIKeyFNHHQOSRLHVNPW-UHFFFAOYSA-N
XLogP1.50
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 115420745
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
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
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180
3-amino-4-(methylamino)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
CID 116957926
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid?
The IUPAC name of 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid (CID 43446952) is 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid.
What is the SMILES notation for 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid?
The canonical SMILES for 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid is NC(CCCCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid?
The InChIKey is FNHHQOSRLHVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-9(3-1-2-4-12(17)18)8-5-6-10-11(7-8)16-13(19)15-10/h5-7,9H,1-4,14H2,(H,17,18)(H2,15,16,19).
What are the key properties of 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid?
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid is sourced from PubChem (CID 43446952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).