dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

C15H32ClNO3 — CID 146680818

IUPACdodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C15H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-15(18)14(16)13-17;/h14,17H,2-13,16H2,1H3;1H/t14-;/m0./s1
InChIKeyNQUBRTLPPAGLMA-UQKRIMTDSA-N
MW309.88 g/mol
LogP3.19
Rot. Bonds13

About dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride (PubChem CID 146680818) has the molecular formula C15H32ClNO3 and a molecular weight of 309.88 g/mol. Its IUPAC name is dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Namedodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
PubChem CID146680818
Molecular FormulaC15H32ClNO3
Molecular Weight309.88 g/mol
Exact Mass309.21
IUPAC Namedodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C15H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-15(18)14(16)13-17;/h14,17H,2-13,16H2,1H3;1H/t14-;/m0./s1
InChIKeyNQUBRTLPPAGLMA-UQKRIMTDSA-N
XLogP3.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-amino-3-hydroxypropanoate
CID 14657672
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028
decyl 2-aminobutanoate
CID 5124907
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
tetradecyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-tetradecoxypropyl]disulfanyl]propanoate
CID 87067537
dodecyl 2-amino-3-[(2-amino-3-dodecoxy-3-oxopropyl)disulfanyl]propanoate
CID 87067538
heptyl (2R)-2-aminopentanoate
CID 107565724
hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl 2-aminopentanoate
CID 61302463
dodecyl 2-aminododecanoate
CID 175586127
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414

Frequently Asked Questions

What is the IUPAC name of dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The IUPAC name of dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride (CID 146680818) is dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride.
What is the SMILES notation for dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The canonical SMILES for dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride is CCCCCCCCCCCCOC(=O)[C@@H](N)CO.Cl.
What is the InChIKey of dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The InChIKey is NQUBRTLPPAGLMA-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-15(18)14(16)13-17;/h14,17H,2-13,16H2,1H3;1H/t14-;/m0./s1.
What are the key properties of dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 3.19, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 146680818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).