(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide

C10H20N2O2 — CID 59592034

IUPAC(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
SMILESCCC[C@H](NC)C(O)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-3-4-8(11-2)9(13)10(14)12-7-5-6-7/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyIPJLUXLDIYZAGT-IENPIDJESA-N
MW200.28 g/mol
LogP0.01
Rot. Bonds6

About (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide

(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide (PubChem CID 59592034) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
PubChem CID59592034
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
SMILESCCC[C@H](NC)C(O)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2/c1-3-4-8(11-2)9(13)10(14)12-7-5-6-7/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyIPJLUXLDIYZAGT-IENPIDJESA-N
XLogP0.01
TPSA61.36 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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-1-phosphanyl-3-propylpyrrolidine-2-carboxamide
CID 123271364
[(3S)-1-(cyclopropylamino)-3-(methoxycarbonylamino)-1-oxohexan-2-yl] acetate
CID 70320225
[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate
CID 144658074
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide?
The IUPAC name of (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide (CID 59592034) is (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide.
What is the SMILES notation for (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide?
The canonical SMILES for (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide is CCC[C@H](NC)C(O)C(=O)NC1CC1.
What is the InChIKey of (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide?
The InChIKey is IPJLUXLDIYZAGT-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-8(11-2)9(13)10(14)12-7-5-6-7/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)/t8-,9?/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide?
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide has a molecular weight of 200.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide is sourced from PubChem (CID 59592034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).