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

C9H18N2O2 — CID 69258159

IUPAC(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCCC[C@](N)(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-6-9(10,13)8(12)11-7-4-5-7/h7,13H,2-6,10H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyCHEMCBOMJWKMIE-VIFPVBQESA-N
MW186.25 g/mol
LogP0.10
Rot. Bonds5

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

(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide (PubChem CID 69258159) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
PubChem CID69258159
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCCC[C@](N)(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-6-9(10,13)8(12)11-7-4-5-7/h7,13H,2-6,10H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyCHEMCBOMJWKMIE-VIFPVBQESA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
(2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide
CID 16739337
(s)-2-amino-N-cyclopropyl-2-hydroxypentanamide
CID 129765721
3-Amino-N-cyclopropyl-2-hydroxyhexanamide
CID 20804982
3-amino-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 21016468
(2R,3R)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 44124932
(3S)-3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide
CID 44139147
3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide
CID 44606488
2-amino-N-ethyl-2-hydroxy-5-methylhexanamide
CID 53789830
(2r,3s)-3-Amino-n-cyclopropyl-2-hydroxyhexanamide
CID 56604987
[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]azanium
CID 57558807
[(2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]azanium
CID 57872122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide (CID 69258159) is (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide is CCCC[C@](N)(O)C(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide?
The InChIKey is CHEMCBOMJWKMIE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-3-6-9(10,13)8(12)11-7-4-5-7/h7,13H,2-6,10H2,1H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide?
(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide has a molecular weight of 186.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide is sourced from PubChem (CID 69258159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).