(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid

C17H25NO3 — CID 119369042

IUPAC(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
SMILESCC(C)Cc1ccc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)9-13-5-7-14(8-6-13)10-15(19)18-16(12(3)4)17(20)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyIHQDKZLTTAINPP-MRXNPFEDSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds7

About (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid (PubChem CID 119369042) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
PubChem CID119369042
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
SMILESCC(C)Cc1ccc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)9-13-5-7-14(8-6-13)10-15(19)18-16(12(3)4)17(20)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyIHQDKZLTTAINPP-MRXNPFEDSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119220881
2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 60657023
(2S)-3-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]butanoic acid
CID 119360442
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348408
(2S)-4-methyl-2-[[2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]acetyl]amino]pentanoic acid
CID 120695655
2-[3-(4-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 119348409

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid (CID 119369042) is (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid is CC(C)Cc1ccc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid?
The InChIKey is IHQDKZLTTAINPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)9-13-5-7-14(8-6-13)10-15(19)18-16(12(3)4)17(20)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 119369042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).