4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid

C11H17N5O4 — CID 62904110

IUPAC4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
SMILESCC(C)n1cc(NC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H17N5O4/c1-6(2)16-5-7(4-13-16)14-11(20)15-8(10(18)19)3-9(12)17/h4-6,8H,3H2,1-2H3,(H2,12,17)(H,18,19)(H2,14,15,20)
InChIKeyLDTFVTTYKSFJMW-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.09
Rot. Bonds6

About 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid

4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid (PubChem CID 62904110) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
PubChem CID62904110
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
SMILESCC(C)n1cc(NC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H17N5O4/c1-6(2)16-5-7(4-13-16)14-11(20)15-8(10(18)19)3-9(12)17/h4-6,8H,3H2,1-2H3,(H2,12,17)(H,18,19)(H2,14,15,20)
InChIKeyLDTFVTTYKSFJMW-UHFFFAOYSA-N
XLogP-0.09
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid with MolForge

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 63305171
(2S)-4-methylsulfanyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62903759
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
(2S)-4-amino-2-[(4-methylsulfanylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716227
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
(2S)-4-amino-2-[(3,5-dichlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716230
(2S)-4-amino-2-[(4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 30045195
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid (CID 62904110) is 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid is CC(C)n1cc(NC(=O)NC(CC(N)=O)C(=O)O)cn1.
What is the InChIKey of 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid?
The InChIKey is LDTFVTTYKSFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-6(2)16-5-7(4-13-16)14-11(20)15-8(10(18)19)3-9(12)17/h4-6,8H,3H2,1-2H3,(H2,12,17)(H,18,19)(H2,14,15,20).
What are the key properties of 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid?
4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid has a molecular weight of 283.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 62904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).