4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid

C10H16N4O4 — CID 54982041

IUPAC4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-6-7(5-12-14-6)4-11-10(18)13-8(2-3-15)9(16)17/h5,8,15H,2-4H2,1H3,(H,12,14)(H,16,17)(H2,11,13,18)
InChIKeyZIPMSSAYTJVNTP-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.65
Rot. Bonds6

About 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid

4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 54982041) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID54982041
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-6-7(5-12-14-6)4-11-10(18)13-8(2-3-15)9(16)17/h5,8,15H,2-4H2,1H3,(H,12,14)(H,16,17)(H2,11,13,18)
InChIKeyZIPMSSAYTJVNTP-UHFFFAOYSA-N
XLogP-0.65
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 78976359
(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717749
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
(2R)-4-hydroxy-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)butanoic acid
CID 107828062
(2S)-4-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)butanoic acid
CID 107828209
4-hydroxy-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)butanoic acid
CID 64525907
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (CID 54982041) is 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is Cc1[nH]ncc1CNC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is ZIPMSSAYTJVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6-7(5-12-14-6)4-11-10(18)13-8(2-3-15)9(16)17/h5,8,15H,2-4H2,1H3,(H,12,14)(H,16,17)(H2,11,13,18).
What are the key properties of 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.65, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 54982041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).