6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid

C17H25NO4 — CID 21125904

IUPAC6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
SMILESCC(C)CC(CC(=O)C(O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)8-13(17(21)22)10-15(19)16(20)14(18)9-12-6-4-3-5-7-12/h3-7,11,13-14,16,20H,8-10,18H2,1-2H3,(H,21,22)
InChIKeyZPQDBPWAVIVFGP-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.62
Rot. Bonds9

About 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid

6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid (PubChem CID 21125904) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid.

Molecular Properties

Compound Name6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
PubChem CID21125904
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
SMILESCC(C)CC(CC(=O)C(O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)8-13(17(21)22)10-15(19)16(20)14(18)9-12-6-4-3-5-7-12/h3-7,11,13-14,16,20H,8-10,18H2,1-2H3,(H,21,22)
InChIKeyZPQDBPWAVIVFGP-UHFFFAOYSA-N
XLogP1.62
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-amino-2-benzyl-7-methyl-4-oxooctanoic acid
CID 67477139
2-benzyl-4-methylpentanoic acid
CID 15416243
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393
(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;molecular hydrogen
CID 159435326
(5S)-2-benzyl-5-hydroxy-4-oxohexanoic acid
CID 176961805
(2S,3R)-3-amino-N-[(3S)-2,5-dimethylhexan-3-yl]-2-hydroxy-4-phenylbutanamide
CID 155326285
6-(carboxyamino)-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid;5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
CID 158265138
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
(2R,5S,6R)-6-acetamido-5-hydroxy-7-(4-hydroxyphenyl)-2-(2-methylpropyl)-4-oxoheptanoic acid
CID 158635306
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2S,5R)-2-benzyl-5-methyl-4-oxo-6-phenylhexanoic acid
CID 71031571
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid?
The IUPAC name of 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid (CID 21125904) is 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid.
What is the SMILES notation for 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid?
The canonical SMILES for 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid is CC(C)CC(CC(=O)C(O)C(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid?
The InChIKey is ZPQDBPWAVIVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)8-13(17(21)22)10-15(19)16(20)14(18)9-12-6-4-3-5-7-12/h3-7,11,13-14,16,20H,8-10,18H2,1-2H3,(H,21,22).
What are the key properties of 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid?
6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid has a molecular weight of 307.39 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid is sourced from PubChem (CID 21125904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).