(4S)-4-amino-3-hydroxyheptan-2-one

C7H15NO2 — CID 58331979

IUPAC(4S)-4-amino-3-hydroxyheptan-2-one
SMILESCCC[C@H](N)C(O)C(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-6(8)7(10)5(2)9/h6-7,10H,3-4,8H2,1-2H3/t6-,7?/m0/s1
InChIKeyWTWOESNHIODOSZ-PKPIPKONSA-N
MW145.20 g/mol
LogP0.06
Rot. Bonds4

About (4S)-4-amino-3-hydroxyheptan-2-one

(4S)-4-amino-3-hydroxyheptan-2-one (PubChem CID 58331979) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4S)-4-amino-3-hydroxyheptan-2-one.

Molecular Properties

Compound Name(4S)-4-amino-3-hydroxyheptan-2-one
PubChem CID58331979
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4S)-4-amino-3-hydroxyheptan-2-one
SMILESCCC[C@H](N)C(O)C(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-6(8)7(10)5(2)9/h6-7,10H,3-4,8H2,1-2H3/t6-,7?/m0/s1
InChIKeyWTWOESNHIODOSZ-PKPIPKONSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651
(4S)-4-amino-3-hydroxyoct-7-en-2-one
CID 148867411
3-hydroxy-4-methylheptan-2-one
CID 45085736
acetyl fluoride;1-aminobutan-1-ol
CID 174904126
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
(4R,5R)-octane-4,5-diamine
CID 13138963

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-hydroxyheptan-2-one?
The IUPAC name of (4S)-4-amino-3-hydroxyheptan-2-one (CID 58331979) is (4S)-4-amino-3-hydroxyheptan-2-one.
What is the SMILES notation for (4S)-4-amino-3-hydroxyheptan-2-one?
The canonical SMILES for (4S)-4-amino-3-hydroxyheptan-2-one is CCC[C@H](N)C(O)C(C)=O.
What is the InChIKey of (4S)-4-amino-3-hydroxyheptan-2-one?
The InChIKey is WTWOESNHIODOSZ-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-6(8)7(10)5(2)9/h6-7,10H,3-4,8H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (4S)-4-amino-3-hydroxyheptan-2-one?
(4S)-4-amino-3-hydroxyheptan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-hydroxyheptan-2-one is sourced from PubChem (CID 58331979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).