(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid

C16H23NO4 — CID 119363955

IUPAC(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCOCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-12(2)10-14(16(19)20)17-15(18)8-9-21-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyWLAHZBUXAUZITA-CQSZACIVSA-N
MW293.36 g/mol
LogP2.21
Rot. Bonds9

About (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid

(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid (PubChem CID 119363955) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
PubChem CID119363955
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCOCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-12(2)10-14(16(19)20)17-15(18)8-9-21-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyWLAHZBUXAUZITA-CQSZACIVSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
(2R)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927075
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927074
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid (CID 119363955) is (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)CCOCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid?
The InChIKey is WLAHZBUXAUZITA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)10-14(16(19)20)17-15(18)8-9-21-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid?
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 119363955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).