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

C7H9N3O4 — CID 28789626

IUPAC(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-3(6(12)13)9-5(11)4-2-8-7(14)10-4/h2-3H,1H3,(H,9,11)(H,12,13)(H2,8,10,14)/t3-/m0/s1
InChIKeyYKTMGZYBAVYSNT-VKHMYHEASA-N
MW199.17 g/mol
LogP-1.09
Rot. Bonds3

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

(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (PubChem CID 28789626) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
PubChem CID28789626
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O4/c1-3(6(12)13)9-5(11)4-2-8-7(14)10-4/h2-3H,1H3,(H,9,11)(H,12,13)(H2,8,10,14)/t3-/m0/s1
InChIKeyYKTMGZYBAVYSNT-VKHMYHEASA-N
XLogP-1.09
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-Aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-YL]acetic acid
CID 49866832
(2S)-2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 57381976
3,3,3-Trifluoro-2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 79795817
2-((2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)acetic acid
CID 1770736
Alanine, N-orotoyl-
CID 24691931
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 28789495
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43361027
2-[(1-Methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid
CID 66755923
2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 66755924
(2S)-2-[[(Z)-2-(1-aminoethylamino)but-2-enoyl]amino]propanoic acid
CID 138485934
2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 142239879
2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 143021574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid (CID 28789626) is (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
The InChIKey is YKTMGZYBAVYSNT-VKHMYHEASA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3(6(12)13)9-5(11)4-2-8-7(14)10-4/h2-3H,1H3,(H,9,11)(H,12,13)(H2,8,10,14)/t3-/m0/s1.
What are the key properties of (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid?
(2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).