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

C10H13N3O4 — CID 43162986

IUPAC2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O4/c1-10(8(15)16,5-2-3-5)13-7(14)6-4-11-9(17)12-6/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyBSACDLILPHGBMF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.31
Rot. Bonds4

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

2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (PubChem CID 43162986) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
PubChem CID43162986
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O4/c1-10(8(15)16,5-2-3-5)13-7(14)6-4-11-9(17)12-6/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyBSACDLILPHGBMF-UHFFFAOYSA-N
XLogP-0.31
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Orotyl-leucine
CID 28194900
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-4-methylpentanoic acid
CID 24700673
(2R)-2-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 70215420
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 28194898
(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
(2R)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789341
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789343
(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28790128
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162947
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43163002

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (CID 43162986) is 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is CC(NC(=O)c1c[nH]c(=O)[nH]1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The InChIKey is BSACDLILPHGBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(8(15)16,5-2-3-5)13-7(14)6-4-11-9(17)12-6/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17).
What are the key properties of 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43162986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).