2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid

C12H20N4O3 — CID 107464104

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid
SMILESCCc1nn(C)cc1NC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-5-8-9(7-15(3)14-8)13-12(19)16(4)10(6-2)11(17)18/h7,10H,5-6H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyMTPWVCJZMGHKLO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.31
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid

2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid (PubChem CID 107464104) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid
PubChem CID107464104
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid
SMILESCCc1nn(C)cc1NC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-5-8-9(7-15(3)14-8)13-12(19)16(4)10(6-2)11(17)18/h7,10H,5-6H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyMTPWVCJZMGHKLO-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]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-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]butanedioic acid
CID 107464180
2-[methyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]butanoic acid
CID 62809713
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 75442034
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid
CID 107464187
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107462239

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid (CID 107464104) is 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid is CCc1nn(C)cc1NC(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid?
The InChIKey is MTPWVCJZMGHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-8-9(7-15(3)14-8)13-12(19)16(4)10(6-2)11(17)18/h7,10H,5-6H2,1-4H3,(H,13,19)(H,17,18).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid?
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 107464104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).