2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid

C14H23N3O3 — CID 120525842

IUPAC2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)NCC(C)C(=O)O)c1C
InChIInChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-16-17)13(18)15-7-9(3)14(19)20/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyRODNZFHKPBKGTB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.00
Rot. Bonds7

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

2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120525842) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120525842
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)NCC(C)C(=O)O)c1C
InChIInChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-16-17)13(18)15-7-9(3)14(19)20/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyRODNZFHKPBKGTB-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525159
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 126808494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 120525842) is 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid is CCC(CC)n1ncc(C(=O)NCC(C)C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is RODNZFHKPBKGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-16-17)13(18)15-7-9(3)14(19)20/h8-9,11H,5-7H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).