(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid

C9H12N4O4 — CID 107821081

IUPAC(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C9H12N4O4/c10-7(14)4-6(9(16)17)12-8(15)3-5-1-2-11-13-5/h1-2,6H,3-4H2,(H2,10,14)(H,11,13)(H,12,15)(H,16,17)/t6-/m1/s1
InChIKeyWDWCYHLDTVGJLI-ZCFIWIBFSA-N
MW240.22 g/mol
LogP-1.60
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid

(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid (PubChem CID 107821081) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
PubChem CID107821081
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C9H12N4O4/c10-7(14)4-6(9(16)17)12-8(15)3-5-1-2-11-13-5/h1-2,6H,3-4H2,(H2,10,14)(H,11,13)(H,12,15)(H,16,17)/t6-/m1/s1
InChIKeyWDWCYHLDTVGJLI-ZCFIWIBFSA-N
XLogP-1.60
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
CID 107831323
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
CID 107824603
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 61141581
2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108
(2R)-4-amino-2-[(2-benzylsulfanylacetyl)amino]-4-oxobutanoic acid
CID 107821037

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid (CID 107821081) is (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid is NC(=O)C[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid?
The InChIKey is WDWCYHLDTVGJLI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-7(14)4-6(9(16)17)12-8(15)3-5-1-2-11-13-5/h1-2,6H,3-4H2,(H2,10,14)(H,11,13)(H,12,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid has a molecular weight of 240.22 g/mol, XLogP of -1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107821081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).