(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid

C10H14N4O4 — CID 28742679

IUPAC(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cn1
InChIInChI=1S/C10H14N4O4/c1-14-5-6(4-12-14)9(16)13-7(10(17)18)2-3-8(11)15/h4-5,7H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyGPGYYBFAPZSMEO-SSDOTTSWSA-N
MW254.25 g/mol
LogP-1.13
Rot. Bonds6

About (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 28742679) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID28742679
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCn1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cn1
InChIInChI=1S/C10H14N4O4/c1-14-5-6(4-12-14)9(16)13-7(10(17)18)2-3-8(11)15/h4-5,7H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyGPGYYBFAPZSMEO-SSDOTTSWSA-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

2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 28742442
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid (CID 28742679) is (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid is Cn1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cn1.
What is the InChIKey of (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GPGYYBFAPZSMEO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14-5-6(4-12-14)9(16)13-7(10(17)18)2-3-8(11)15/h4-5,7H,2-3H2,1H3,(H2,11,15)(H,13,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(1-methylpyrazole-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 (2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 28742679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).