dodecyl (2R)-2-aminopropanoate;hydrochloride

C15H32ClNO2 — CID 156902416

IUPACdodecyl (2R)-2-aminopropanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;/h14H,3-13,16H2,1-2H3;1H/t14-;/m1./s1
InChIKeyAIMIBZYOJHWNND-PFEQFJNWSA-N
MW293.88 g/mol
LogP4.22
Rot. Bonds12

About dodecyl (2R)-2-aminopropanoate;hydrochloride

dodecyl (2R)-2-aminopropanoate;hydrochloride (PubChem CID 156902416) has the molecular formula C15H32ClNO2 and a molecular weight of 293.88 g/mol. Its IUPAC name is dodecyl (2R)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namedodecyl (2R)-2-aminopropanoate;hydrochloride
PubChem CID156902416
Molecular FormulaC15H32ClNO2
Molecular Weight293.88 g/mol
Exact Mass293.21
IUPAC Namedodecyl (2R)-2-aminopropanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;/h14H,3-13,16H2,1-2H3;1H/t14-;/m1./s1
InChIKeyAIMIBZYOJHWNND-PFEQFJNWSA-N
XLogP4.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
dodecyl (2S)-2-aminopropanoate;oxalic acid
CID 88810980
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
tridecyl 2-(1-oxo-1-tridecoxypropan-2-yl)sulfanylpropanoate
CID 14454729
dodecyl 2-amino-3-methylbutanoate
CID 6453804
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969

Frequently Asked Questions

What is the IUPAC name of dodecyl (2R)-2-aminopropanoate;hydrochloride?
The IUPAC name of dodecyl (2R)-2-aminopropanoate;hydrochloride (CID 156902416) is dodecyl (2R)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for dodecyl (2R)-2-aminopropanoate;hydrochloride?
The canonical SMILES for dodecyl (2R)-2-aminopropanoate;hydrochloride is CCCCCCCCCCCCOC(=O)[C@@H](C)N.Cl.
What is the InChIKey of dodecyl (2R)-2-aminopropanoate;hydrochloride?
The InChIKey is AIMIBZYOJHWNND-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;/h14H,3-13,16H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of dodecyl (2R)-2-aminopropanoate;hydrochloride?
dodecyl (2R)-2-aminopropanoate;hydrochloride has a molecular weight of 293.88 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2R)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 156902416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).