(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2 — CID 23634853

IUPAC(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCC[C@H](N)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyDRNGSSWBFKDSEE-JAMMHHFISA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds5

About (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide

(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide (PubChem CID 23634853) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
PubChem CID23634853
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCC[C@H](N)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyDRNGSSWBFKDSEE-JAMMHHFISA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;cyclopropyl(methylidyne)azanium;(2S)-2-methylpentanal
CID 158502325
(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
CID 168976242
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate;methanol
CID 157062970
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The IUPAC name of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide (CID 23634853) is (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide.
What is the SMILES notation for (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The canonical SMILES for (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide is CCC[C@H](N)C(O)C(=O)NC1CC1.
What is the InChIKey of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The InChIKey is DRNGSSWBFKDSEE-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide has a molecular weight of 186.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide is sourced from PubChem (CID 23634853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).