tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride

C20H42ClNO2 — CID 154585621

IUPACtetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C20H41NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-20(22)19(21)17-18(2)3;/h18-19H,4-17,21H2,1-3H3;1H/t19-;/m0./s1
InChIKeyKAJWVVAKXQSZLW-FYZYNONXSA-N
MW364.01 g/mol
LogP6.03
Rot. Bonds16

About tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride

tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride (PubChem CID 154585621) has the molecular formula C20H42ClNO2 and a molecular weight of 364.01 g/mol. Its IUPAC name is tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Nametetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
PubChem CID154585621
Molecular FormulaC20H42ClNO2
Molecular Weight364.01 g/mol
Exact Mass363.29
IUPAC Nametetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C20H41NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-20(22)19(21)17-18(2)3;/h18-19H,4-17,21H2,1-3H3;1H/t19-;/m0./s1
InChIKeyKAJWVVAKXQSZLW-FYZYNONXSA-N
XLogP6.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.01
LogP ≤ 56.03
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

dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
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
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
hexadecyl (2S)-2-aminohexanoate
CID 10808138

Frequently Asked Questions

What is the IUPAC name of tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The IUPAC name of tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride (CID 154585621) is tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride.
What is the SMILES notation for tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The canonical SMILES for tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride is CCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The InChIKey is KAJWVVAKXQSZLW-FYZYNONXSA-N. The full InChI is InChI=1S/C20H41NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-20(22)19(21)17-18(2)3;/h18-19H,4-17,21H2,1-3H3;1H/t19-;/m0./s1.
What are the key properties of tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride has a molecular weight of 364.01 g/mol, XLogP of 6.03, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 154585621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).