6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

C10H15N3O4 — CID 28788693

IUPAC6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-8(15)4-2-1-3-5-11-9(16)7-6-12-10(17)13-7/h6H,1-5H2,(H,11,16)(H,14,15)(H2,12,13,17)
InChIKeyFAAUKUPQDUYMEW-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.08
Rot. Bonds7

About 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid

6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (PubChem CID 28788693) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
PubChem CID28788693
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-8(15)4-2-1-3-5-11-9(16)7-6-12-10(17)13-7/h6H,1-5H2,(H,11,16)(H,14,15)(H2,12,13,17)
InChIKeyFAAUKUPQDUYMEW-UHFFFAOYSA-N
XLogP0.08
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]hexanoic acid
CID 5039256
8-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-8-oxooctanoic acid
CID 68654646
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 122413905
6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate
CID 7298450
7-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]heptanoic acid
CID 24703343
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788927
(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788929
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789533
(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789966
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-2-carboxylic acid
CID 28789969
(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28790128
(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28791059

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid (CID 28788693) is 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is FAAUKUPQDUYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-8(15)4-2-1-3-5-11-9(16)7-6-12-10(17)13-7/h6H,1-5H2,(H,11,16)(H,14,15)(H2,12,13,17).
What are the key properties of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid?
6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 28788693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).