2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid

C17H25NO3 — CID 82224505

IUPAC2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
SMILESCCCc1ccc(CCCC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-4-6-13-9-11-14(12-10-13)7-5-8-15(19)18-17(2,3)16(20)21/h9-12H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJCZILGYWSKGABS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.94
Rot. Bonds8

About 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid

2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid (PubChem CID 82224505) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
PubChem CID82224505
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
SMILESCCCc1ccc(CCCC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-4-6-13-9-11-14(12-10-13)7-5-8-15(19)18-17(2,3)16(20)21/h9-12H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJCZILGYWSKGABS-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
2-methyl-2-[3-(4-propoxyphenyl)propanoylamino]propanoic acid
CID 119187557
2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
CID 61265165
2,2,3-trimethyl-3-(4-phenylbutanoylamino)butanoic acid
CID 65261163
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
N-(1-bromo-3-methylpentan-3-yl)-4-phenylbutanamide
CID 114153222
2-[4-(1,2-dimethylbenzimidazol-5-yl)butanoylamino]-2-methylpropanoic acid
CID 94966883
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
2,2-dimethyl-3-[2-(4-propylphenyl)ethylamino]propanoic acid
CID 115136637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid (CID 82224505) is 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid is CCCc1ccc(CCCC(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid?
The InChIKey is JCZILGYWSKGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-6-13-9-11-14(12-10-13)7-5-8-15(19)18-17(2,3)16(20)21/h9-12H,4-8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid?
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid is sourced from PubChem (CID 82224505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).