4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid

C15H21NO3 — CID 97323909

IUPAC4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
SMILESC[C@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-12(11-13-7-4-3-5-8-13)15(19)16(2)10-6-9-14(17)18/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyMDQODMGVYNRBRD-GFCCVEGCSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds7

About 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid

4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid (PubChem CID 97323909) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
PubChem CID97323909
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
SMILESC[C@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-12(11-13-7-4-3-5-8-13)15(19)16(2)10-6-9-14(17)18/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyMDQODMGVYNRBRD-GFCCVEGCSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 48854171
4-[methyl(2-phenylpentanoyl)amino]butanoic acid
CID 119172838
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
6-[methyl(2-phenylethyl)amino]-6-oxo-5-phenylhexanoic acid
CID 69405899
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid (CID 97323909) is 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid is C[C@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid?
The InChIKey is MDQODMGVYNRBRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(11-13-7-4-3-5-8-13)15(19)16(2)10-6-9-14(17)18/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid?
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid is sourced from PubChem (CID 97323909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).