3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid

C17H23NO3 — CID 120689540

IUPAC3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
SMILESCc1ccc(CC(C)C(=O)NC(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-11-3-5-13(6-4-11)9-12(2)16(19)18-15(17(20)21)10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWEPIGEQDZQIOTI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.54
Rot. Bonds7

About 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid

3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid (PubChem CID 120689540) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
PubChem CID120689540
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
SMILESCc1ccc(CC(C)C(=O)NC(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-11-3-5-13(6-4-11)9-12(2)16(19)18-15(17(20)21)10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWEPIGEQDZQIOTI-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
(2S)-3-(4-methylphenyl)-2-[[(2S)-4-methyl-2-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 59926456
2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
CID 46842238
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336
(2S)-2-[[(2S)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 54392610
3-cyclopropyl-4-(4-methylphenyl)butanoic acid
CID 82079304
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-(4,4-difluorocyclohexyl)propanoic acid
CID 176511226
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 55104944
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-3-(methylamino)propanoyl]amino]propanoic acid
CID 103870739

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid (CID 120689540) is 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid is Cc1ccc(CC(C)C(=O)NC(CC2CC2)C(=O)O)cc1.
What is the InChIKey of 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid?
The InChIKey is WEPIGEQDZQIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-3-5-13(6-4-11)9-12(2)16(19)18-15(17(20)21)10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid?
3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 120689540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).