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

C9H14N4O4 — CID 54982418

IUPAC3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-5-6(3-11-13-5)2-10-9(17)12-7(4-14)8(15)16/h3,7,14H,2,4H2,1H3,(H,11,13)(H,15,16)(H2,10,12,17)
InChIKeyODSRYOUURWQEJK-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.04
Rot. Bonds5

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

3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid (PubChem CID 54982418) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
PubChem CID54982418
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-5-6(3-11-13-5)2-10-9(17)12-7(4-14)8(15)16/h3,7,14H,2,4H2,1H3,(H,11,13)(H,15,16)(H2,10,12,17)
InChIKeyODSRYOUURWQEJK-UHFFFAOYSA-N
XLogP-1.04
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
3,3,3-trifluoro-2-methyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 106215476
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
3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54982230
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982321

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid (CID 54982418) is 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid is Cc1[nH]ncc1CNC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is ODSRYOUURWQEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5-6(3-11-13-5)2-10-9(17)12-7(4-14)8(15)16/h3,7,14H,2,4H2,1H3,(H,11,13)(H,15,16)(H2,10,12,17).
What are the key properties of 3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
3-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 242.23 g/mol, XLogP of -1.04, 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]propanoic acid is sourced from PubChem (CID 54982418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).