3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride

C9H19ClN2O2 — CID 139291083

IUPAC3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
SMILESC=CCNC(=O)C(O)C(N)CCC.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-5-7(10)8(12)9(13)11-6-4-2;/h4,7-8,12H,2-3,5-6,10H2,1H3,(H,11,13);1H
InChIKeyKSUBPSSEKRSVTB-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.20
Rot. Bonds6

About 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride

3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride (PubChem CID 139291083) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
PubChem CID139291083
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
SMILESC=CCNC(=O)C(O)C(N)CCC.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-5-7(10)8(12)9(13)11-6-4-2;/h4,7-8,12H,2-3,5-6,10H2,1H3,(H,11,13);1H
InChIKeyKSUBPSSEKRSVTB-UHFFFAOYSA-N
XLogP0.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
CID 139291082
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
ethane;prop-2-enyl 2-[(3-amino-2-hydroxyhexanoyl)amino]acetate
CID 142110693
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride?
The IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride (CID 139291083) is 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride?
The canonical SMILES for 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride is C=CCNC(=O)C(O)C(N)CCC.Cl.
What is the InChIKey of 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride?
The InChIKey is KSUBPSSEKRSVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-3-5-7(10)8(12)9(13)11-6-4-2;/h4,7-8,12H,2-3,5-6,10H2,1H3,(H,11,13);1H.
What are the key properties of 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride?
3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride is sourced from PubChem (CID 139291083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).