(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid

C10H14N4O4 — CID 114004747

IUPAC(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1n[nH]c(C)c1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-4-8(5(2)14-13-4)9(16)12-6(10(17)18)3-7(11)15/h6H,3H2,1-2H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1
InChIKeyGYOWNWQBBLXDBH-ZCFIWIBFSA-N
MW254.25 g/mol
LogP-0.92
Rot. Bonds5

About (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 114004747) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID114004747
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1n[nH]c(C)c1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-4-8(5(2)14-13-4)9(16)12-6(10(17)18)3-7(11)15/h6H,3H2,1-2H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1
InChIKeyGYOWNWQBBLXDBH-ZCFIWIBFSA-N
XLogP-0.92
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
CID 63715213
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364
(2S)-4-amino-2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110836459
(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 61203190
(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717749
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357881
(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 114005864
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid (CID 114004747) is (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid is Cc1n[nH]c(C)c1C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is GYOWNWQBBLXDBH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-4-8(5(2)14-13-4)9(16)12-6(10(17)18)3-7(11)15/h6H,3H2,1-2H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 114004747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).