(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide

C9H17NO3 — CID 123542351

IUPAC(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
SMILESCCC[C@H](O)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H17NO3/c1-2-3-7(11)8(12)9(13)10-6-4-5-6/h6-8,11-12H,2-5H2,1H3,(H,10,13)/t7-,8?/m0/s1
InChIKeyDDFNHMXAXLRPPZ-JAMMHHFISA-N
MW187.24 g/mol
LogP-0.21
Rot. Bonds5

About (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide

(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide (PubChem CID 123542351) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
PubChem CID123542351
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
SMILESCCC[C@H](O)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H17NO3/c1-2-3-7(11)8(12)9(13)10-6-4-5-6/h6-8,11-12H,2-5H2,1H3,(H,10,13)/t7-,8?/m0/s1
InChIKeyDDFNHMXAXLRPPZ-JAMMHHFISA-N
XLogP-0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
N-cyclopropyl-2-ethylbutanamide
CID 5151098
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
N-cyclopropyl-3-methylhexanamide
CID 155359047
N-cycloheptyl-2-methylpentanamide
CID 4532030

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide?
The IUPAC name of (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide (CID 123542351) is (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide.
What is the SMILES notation for (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide?
The canonical SMILES for (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide is CCC[C@H](O)C(O)C(=O)NC1CC1.
What is the InChIKey of (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide?
The InChIKey is DDFNHMXAXLRPPZ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-7(11)8(12)9(13)10-6-4-5-6/h6-8,11-12H,2-5H2,1H3,(H,10,13)/t7-,8?/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide?
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide has a molecular weight of 187.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-2,3-dihydroxyhexanamide is sourced from PubChem (CID 123542351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).