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

C10H21ClN2O2 — CID 139291082

IUPAC3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
SMILESC=CCNC(=O)C(O)C(N)CCCC.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-5-6-8(11)9(13)10(14)12-7-4-2;/h4,8-9,13H,2-3,5-7,11H2,1H3,(H,12,14);1H
InChIKeyUYZOUDAFFFIMEY-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.59
Rot. Bonds7

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

3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride (PubChem CID 139291082) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
PubChem CID139291082
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
SMILESC=CCNC(=O)C(O)C(N)CCCC.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-5-6-8(11)9(13)10(14)12-7-4-2;/h4,8-9,13H,2-3,5-7,11H2,1H3,(H,12,14);1H
InChIKeyUYZOUDAFFFIMEY-UHFFFAOYSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.59
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-enylhexanamide;hydrochloride
CID 139291083
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
2-pentyl-N-prop-2-enylundecanamide
CID 5180097
ethane;prop-2-enyl 2-[(3-amino-2-hydroxyhexanoyl)amino]acetate
CID 142110693
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
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
5-methyl-2-(prop-2-enylamino)non-1-en-3-one
CID 143352205
(2R,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride?
The IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride (CID 139291082) is 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride?
The canonical SMILES for 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride is C=CCNC(=O)C(O)C(N)CCCC.Cl.
What is the InChIKey of 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride?
The InChIKey is UYZOUDAFFFIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-3-5-6-8(11)9(13)10(14)12-7-4-2;/h4,8-9,13H,2-3,5-7,11H2,1H3,(H,12,14);1H.
What are the key properties of 3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride?
3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.59, 7 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-enylheptanamide;hydrochloride is sourced from PubChem (CID 139291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).