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

C10H16N4O4 — CID 54982321

IUPAC3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H16N4O4/c1-5-7(4-12-14-5)3-11-10(18)13-8(6(2)15)9(16)17/h4,6,8,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,11,13,18)
InChIKeyREAVLLQVSJYADN-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.65
Rot. Bonds5

About 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid

3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 54982321) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID54982321
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H16N4O4/c1-5-7(4-12-14-5)3-11-10(18)13-8(6(2)15)9(16)17/h4,6,8,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,11,13,18)
InChIKeyREAVLLQVSJYADN-UHFFFAOYSA-N
XLogP-0.65
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
CID 54948839
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982040
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 54982042
3-hydroxy-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982227
2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 54982229
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54982278
4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982322
2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 54982323
3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982369

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (CID 54982321) is 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is Cc1[nH]ncc1CNC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is REAVLLQVSJYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-7(4-12-14-5)3-11-10(18)13-8(6(2)15)9(16)17/h4,6,8,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,11,13,18).
What are the key properties of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.65, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 54982321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).