(3S)-2,3,7-trihydroxyheptanamide

C7H15NO4 — CID 175399258

IUPAC(3S)-2,3,7-trihydroxyheptanamide
SMILESNC(=O)C(O)[C@@H](O)CCCCO
InChIInChI=1S/C7H15NO4/c8-7(12)6(11)5(10)3-1-2-4-9/h5-6,9-11H,1-4H2,(H2,8,12)/t5-,6?/m0/s1
InChIKeyGBIZBDQZOYZPJN-ZBHICJROSA-N
MW177.20 g/mol
LogP-1.64
Rot. Bonds6

About (3S)-2,3,7-trihydroxyheptanamide

(3S)-2,3,7-trihydroxyheptanamide (PubChem CID 175399258) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S)-2,3,7-trihydroxyheptanamide.

Molecular Properties

Compound Name(3S)-2,3,7-trihydroxyheptanamide
PubChem CID175399258
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(3S)-2,3,7-trihydroxyheptanamide
SMILESNC(=O)C(O)[C@@H](O)CCCCO
InChIInChI=1S/C7H15NO4/c8-7(12)6(11)5(10)3-1-2-4-9/h5-6,9-11H,1-4H2,(H2,8,12)/t5-,6?/m0/s1
InChIKeyGBIZBDQZOYZPJN-ZBHICJROSA-N
XLogP-1.64
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,3,18-trihydroxyoctadecanoate
CID 174616896
tridecane-1,4,5,13-tetrol
CID 57164237
1,2-dihydroxypropan-2-yl 2,3,16-trihydroxyhexadecanoate
CID 175402679
1-aminoheptane-1,2,7-triol
CID 87845993
sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
CID 174758233
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
nonane-1,2,3,9-tetrol
CID 87488161
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840
(9S,10R)-9,10,16-trihydroxyhexadecanoate
CID 7269315
sodium 9,10,16-trihydroxyhexadecanoate
CID 23716744

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3,7-trihydroxyheptanamide?
The IUPAC name of (3S)-2,3,7-trihydroxyheptanamide (CID 175399258) is (3S)-2,3,7-trihydroxyheptanamide.
What is the SMILES notation for (3S)-2,3,7-trihydroxyheptanamide?
The canonical SMILES for (3S)-2,3,7-trihydroxyheptanamide is NC(=O)C(O)[C@@H](O)CCCCO.
What is the InChIKey of (3S)-2,3,7-trihydroxyheptanamide?
The InChIKey is GBIZBDQZOYZPJN-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15NO4/c8-7(12)6(11)5(10)3-1-2-4-9/h5-6,9-11H,1-4H2,(H2,8,12)/t5-,6?/m0/s1.
What are the key properties of (3S)-2,3,7-trihydroxyheptanamide?
(3S)-2,3,7-trihydroxyheptanamide has a molecular weight of 177.20 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3,7-trihydroxyheptanamide is sourced from PubChem (CID 175399258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).