3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid

C13H21N3O3 — CID 54926881

IUPAC3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(7-6-11(17)18)13(19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyCHIPUHRMWPJYJI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.36
Rot. Bonds5

About 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid

3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 54926881) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID54926881
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(7-6-11(17)18)13(19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyCHIPUHRMWPJYJI-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700
3-[(1,3-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 103790605
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 79701973
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 43572955
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid (CID 54926881) is 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid is Cc1nn(C)c(C)c1C(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is CHIPUHRMWPJYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)16(7-6-11(17)18)13(19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54926881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).