(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid

C17H25NO3 — CID 119363223

IUPAC(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid
SMILESCc1ccc(C(C)(C)C(=O)N[C@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)10-14(15(19)20)18-16(21)17(4,5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyFHXFBVIONWLNDI-CQSZACIVSA-N
MW291.39 g/mol
LogP2.89
Rot. Bonds6

About (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid (PubChem CID 119363223) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid
PubChem CID119363223
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid
SMILESCc1ccc(C(C)(C)C(=O)N[C@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)10-14(15(19)20)18-16(21)17(4,5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyFHXFBVIONWLNDI-CQSZACIVSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
(2S)-2-[[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694411
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
4-methyl-2-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]pentanoic acid
CID 22144169
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 111486402
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119188374
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid (CID 119363223) is (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid is Cc1ccc(C(C)(C)C(=O)N[C@H](CC(C)C)C(=O)O)cc1.
What is the InChIKey of (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid?
The InChIKey is FHXFBVIONWLNDI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)10-14(15(19)20)18-16(21)17(4,5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 119363223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).