3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid

C11H18N4O3 — CID 81069445

IUPAC3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCC(CNC(=O)NCc1ccnn1C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-4-14-15(9)2/h3-4,8H,5-7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyIUKWOGHKQDPMHV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds6

About 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid

3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid (PubChem CID 81069445) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
PubChem CID81069445
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCC(CNC(=O)NCc1ccnn1C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-4-14-15(9)2/h3-4,8H,5-7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyIUKWOGHKQDPMHV-UHFFFAOYSA-N
XLogP0.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454512
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid (CID 81069445) is 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid is CC(CNC(=O)NCc1ccnn1C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is IUKWOGHKQDPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-4-14-15(9)2/h3-4,8H,5-7H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid?
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 81069445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).