2-(3-benzamidopropanoylamino)-2-methylbutanoic acid

C15H20N2O4 — CID 79789289

IUPAC2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-15(2,14(20)21)17-12(18)9-10-16-13(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyWZYCQCVJCOXCSQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.18
Rot. Bonds7

About 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid

2-(3-benzamidopropanoylamino)-2-methylbutanoic acid (PubChem CID 79789289) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
PubChem CID79789289
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CCNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-15(2,14(20)21)17-12(18)9-10-16-13(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyWZYCQCVJCOXCSQ-UHFFFAOYSA-N
XLogP1.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 43391483
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
CID 66169997
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 108808125

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid (CID 79789289) is 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid is CCC(C)(NC(=O)CCNC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid?
The InChIKey is WZYCQCVJCOXCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-15(2,14(20)21)17-12(18)9-10-16-13(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid?
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzamidopropanoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 79789289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).