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

C14H23N3O3 — CID 60831751

IUPAC3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)17(7-6-14(19)20)13(18)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,19,20)
InChIKeyGZVIVFIIPOUMSY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.29
Rot. Bonds6

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

3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 60831751) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID60831751
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)17(7-6-14(19)20)13(18)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,19,20)
InChIKeyGZVIVFIIPOUMSY-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
3-[(1,3-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 103790605
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79266236
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207580
2-[ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-3-phenylpropanoic acid
CID 138014421

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (CID 60831751) is 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is Cc1nn(C)c(C)c1CC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is GZVIVFIIPOUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)17(7-6-14(19)20)13(18)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,19,20).
What are the key properties of 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 60831751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).