2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid

C16H24N2O4 — CID 3238

IUPAC2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyVGGGPCQERPFHOB-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.53
Rot. Bonds8

About 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid

2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid (PubChem CID 3238) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid
PubChem CID3238
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyVGGGPCQERPFHOB-UHFFFAOYSA-N
XLogP0.53
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid (CID 3238) is 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid?
The InChIKey is VGGGPCQERPFHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid?
2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 0.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 3238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).