(4S)-4-amino-3-hydroxyoct-7-en-2-one

C8H15NO2 — CID 148867411

IUPAC(4S)-4-amino-3-hydroxyoct-7-en-2-one
SMILESC=CCC[C@H](N)C(O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-7(9)8(11)6(2)10/h3,7-8,11H,1,4-5,9H2,2H3/t7-,8?/m0/s1
InChIKeyPAMKZPYKSUKLFE-JAMMHHFISA-N
MW157.21 g/mol
LogP0.23
Rot. Bonds5

About (4S)-4-amino-3-hydroxyoct-7-en-2-one

(4S)-4-amino-3-hydroxyoct-7-en-2-one (PubChem CID 148867411) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S)-4-amino-3-hydroxyoct-7-en-2-one.

Molecular Properties

Compound Name(4S)-4-amino-3-hydroxyoct-7-en-2-one
PubChem CID148867411
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S)-4-amino-3-hydroxyoct-7-en-2-one
SMILESC=CCC[C@H](N)C(O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-7(9)8(11)6(2)10/h3,7-8,11H,1,4-5,9H2,2H3/t7-,8?/m0/s1
InChIKeyPAMKZPYKSUKLFE-JAMMHHFISA-N
XLogP0.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-amino-3-hydroxyoct-7-en-2-one 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

(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
benzene;2-but-3-enylpropanedioic acid
CID 174917168
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
2-acetylhept-6-enoic acid
CID 14867645
ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one
CID 158792156
ethyl 2-aminohex-5-enoate;hydrochloride
CID 162341778
3-methoxyhept-6-en-2-one
CID 45085639
(2R)-2-aminohept-6-enoic acid
CID 71352792
3-hydroxy-2-methylhept-6-enal
CID 15601022

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-hydroxyoct-7-en-2-one?
The IUPAC name of (4S)-4-amino-3-hydroxyoct-7-en-2-one (CID 148867411) is (4S)-4-amino-3-hydroxyoct-7-en-2-one.
What is the SMILES notation for (4S)-4-amino-3-hydroxyoct-7-en-2-one?
The canonical SMILES for (4S)-4-amino-3-hydroxyoct-7-en-2-one is C=CCC[C@H](N)C(O)C(C)=O.
What is the InChIKey of (4S)-4-amino-3-hydroxyoct-7-en-2-one?
The InChIKey is PAMKZPYKSUKLFE-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-7(9)8(11)6(2)10/h3,7-8,11H,1,4-5,9H2,2H3/t7-,8?/m0/s1.
What are the key properties of (4S)-4-amino-3-hydroxyoct-7-en-2-one?
(4S)-4-amino-3-hydroxyoct-7-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-hydroxyoct-7-en-2-one is sourced from PubChem (CID 148867411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).