dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride

C18H38ClNO2 — CID 156902414

IUPACdodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@H](N)CC(C)C.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(20)17(19)15-16(2)3;/h16-17H,4-15,19H2,1-3H3;1H/t17-;/m1./s1
InChIKeyPIWYYQSKZYXCML-UNTBIKODSA-N
MW335.96 g/mol
LogP5.25
Rot. Bonds14

About dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride

dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride (PubChem CID 156902414) has the molecular formula C18H38ClNO2 and a molecular weight of 335.96 g/mol. Its IUPAC name is dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namedodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
PubChem CID156902414
Molecular FormulaC18H38ClNO2
Molecular Weight335.96 g/mol
Exact Mass335.26
IUPAC Namedodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)[C@H](N)CC(C)C.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(20)17(19)15-16(2)3;/h16-17H,4-15,19H2,1-3H3;1H/t17-;/m1./s1
InChIKeyPIWYYQSKZYXCML-UNTBIKODSA-N
XLogP5.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.96
LogP ≤ 55.25
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

tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
[(9Z,12Z)-octadeca-9,12-dienyl] (2S)-2-amino-4-methylpentanoate
CID 87815188
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
decyl 2-aminobutanoate
CID 5124907
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
hexyl 2-amino-4-oxopentanoate
CID 87214543
heptyl 2-aminopentanoate
CID 61302463
heptyl (2R)-2-aminopentanoate
CID 107565724
dodecyl 2-aminododecanoate
CID 175586127
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078

Frequently Asked Questions

What is the IUPAC name of dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride?
The IUPAC name of dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride (CID 156902414) is dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride.
What is the SMILES notation for dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride?
The canonical SMILES for dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride is CCCCCCCCCCCCOC(=O)[C@H](N)CC(C)C.Cl.
What is the InChIKey of dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride?
The InChIKey is PIWYYQSKZYXCML-UNTBIKODSA-N. The full InChI is InChI=1S/C18H37NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(20)17(19)15-16(2)3;/h16-17H,4-15,19H2,1-3H3;1H/t17-;/m1./s1.
What are the key properties of dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride?
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride has a molecular weight of 335.96 g/mol, XLogP of 5.25, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 156902414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).