(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid

C10H14N4O4 — CID 103510485

IUPAC(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1cncc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-14-5-12-4-7(14)9(16)13-6(10(17)18)2-3-8(11)15/h4-6H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyGUGKXTKMQOYXAI-LURJTMIESA-N
MW254.25 g/mol
LogP-1.13
Rot. Bonds6

About (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 103510485) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID103510485
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1cncc1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-14-5-12-4-7(14)9(16)13-6(10(17)18)2-3-8(11)15/h4-6H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyGUGKXTKMQOYXAI-LURJTMIESA-N
XLogP-1.13
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylimidazole-4-carboxamide
CID 106356199
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid (CID 103510485) is (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid is Cn1cncc1C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GUGKXTKMQOYXAI-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14-5-12-4-7(14)9(16)13-6(10(17)18)2-3-8(11)15/h4-6H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 254.25 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 103510485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).