2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

C10H15N3O4 — CID 43469889

IUPAC2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-4-6(9(15)16)12-8(14)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyPVVSCBNIDVOQRX-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.08
Rot. Bonds6

About 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (PubChem CID 43469889) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
PubChem CID43469889
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-4-6(9(15)16)12-8(14)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyPVVSCBNIDVOQRX-UHFFFAOYSA-N
XLogP0.08
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 82855211
(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 120615362
methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
CID 43407271
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]hexanoic acid
CID 120615160
N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115770821
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
(2S)-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]hexanoic acid
CID 120615508
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (CID 43469889) is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is PVVSCBNIDVOQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-3-4-6(9(15)16)12-8(14)7-5-11-10(17)13-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)(H2,11,13,17).
What are the key properties of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).