(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide

C10H20N2O2 — CID 50914002

IUPAC(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
SMILESCCCC[C@H](N)[C@H](O)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-8(11)9(13)10(14)12-7-5-6-7/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyUEWOYZVFQJKJOL-IUCAKERBSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds6

About (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide

(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide (PubChem CID 50914002) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide.

Molecular Properties

Compound Name(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
PubChem CID50914002
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
SMILESCCCC[C@H](N)[C@H](O)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-8(11)9(13)10(14)12-7-5-6-7/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyUEWOYZVFQJKJOL-IUCAKERBSA-N
XLogP0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
CID 168976242
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
CID 139291082
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;cyclopropyl(methylidyne)azanium;(2S)-2-methylpentanal
CID 158502325
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide?
The IUPAC name of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide (CID 50914002) is (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide.
What is the SMILES notation for (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide?
The canonical SMILES for (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide is CCCC[C@H](N)[C@H](O)C(=O)NC1CC1.
What is the InChIKey of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide?
The InChIKey is UEWOYZVFQJKJOL-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-8(11)9(13)10(14)12-7-5-6-7/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide?
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide has a molecular weight of 200.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide is sourced from PubChem (CID 50914002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).