(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid

C10H15N5O4 — CID 63717749

IUPAC(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1[nH]ncc1CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-5-6(4-13-15-5)3-12-10(19)14-7(9(17)18)2-8(11)16/h4,7H,2-3H2,1H3,(H2,11,16)(H,13,15)(H,17,18)(H2,12,14,19)/t7-/m0/s1
InChIKeyHMMGUOKPXKXQLD-ZETCQYMHSA-N
MW269.26 g/mol
LogP-1.15
Rot. Bonds6

About (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 63717749) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
PubChem CID63717749
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1[nH]ncc1CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-5-6(4-13-15-5)3-12-10(19)14-7(9(17)18)2-8(11)16/h4,7H,2-3H2,1H3,(H2,11,16)(H,13,15)(H,17,18)(H2,12,14,19)/t7-/m0/s1
InChIKeyHMMGUOKPXKXQLD-ZETCQYMHSA-N
XLogP-1.15
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 78976359
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
(2S)-4-amino-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719403
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827478
(2S)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719224
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid (CID 63717749) is (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid is Cc1[nH]ncc1CNC(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is HMMGUOKPXKXQLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-5-6(4-13-15-5)3-12-10(19)14-7(9(17)18)2-8(11)16/h4,7H,2-3H2,1H3,(H2,11,16)(H,13,15)(H,17,18)(H2,12,14,19)/t7-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.15, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 63717749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).