(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

C12H19N3O3 — CID 97283275

IUPAC(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1ncc(C(=O)NC[C@@H](C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-4-5-15-9(3)10(7-14-15)11(16)13-6-8(2)12(17)18/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeySFULMROUQRSHIU-MRVPVSSYSA-N
MW253.30 g/mol
LogP1.05
Rot. Bonds6

About (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 97283275) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID97283275
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1ncc(C(=O)NC[C@@H](C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-4-5-15-9(3)10(7-14-15)11(16)13-6-8(2)12(17)18/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeySFULMROUQRSHIU-MRVPVSSYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]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-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
3-[(1-butyl-5-methylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111425
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 72856587
2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
N-[1-(3,5-difluorophenyl)cyclopropyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 77090380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (CID 97283275) is (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is CCCn1ncc(C(=O)NC[C@@H](C)C(=O)O)c1C.
What is the InChIKey of (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is SFULMROUQRSHIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-15-9(3)10(7-14-15)11(16)13-6-8(2)12(17)18/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97283275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).