benzyl 2-amino-4-methylpentanoate;hydrochloride

C13H20ClNO2 — CID 19885596

IUPACbenzyl 2-amino-4-methylpentanoate;hydrochloride
SMILESCC(C)CC(N)C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H
InChIKeyHCYLOEGSAOVRIT-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.53
Rot. Bonds5

About benzyl 2-amino-4-methylpentanoate;hydrochloride

benzyl 2-amino-4-methylpentanoate;hydrochloride (PubChem CID 19885596) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is benzyl 2-amino-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-amino-4-methylpentanoate;hydrochloride
PubChem CID19885596
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Namebenzyl 2-amino-4-methylpentanoate;hydrochloride
SMILESCC(C)CC(N)C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H
InChIKeyHCYLOEGSAOVRIT-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
benzyl 2-amino-3,5-dimethylhexanoate
CID 174483486
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
benzyl 2,3-diaminopropanoate
CID 19891176
4-methyl-2-(1-oxo-1-phenylmethoxypropan-2-yl)pentanoic acid
CID 19087579

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-4-methylpentanoate;hydrochloride?
The IUPAC name of benzyl 2-amino-4-methylpentanoate;hydrochloride (CID 19885596) is benzyl 2-amino-4-methylpentanoate;hydrochloride.
What is the SMILES notation for benzyl 2-amino-4-methylpentanoate;hydrochloride?
The canonical SMILES for benzyl 2-amino-4-methylpentanoate;hydrochloride is CC(C)CC(N)C(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl 2-amino-4-methylpentanoate;hydrochloride?
The InChIKey is HCYLOEGSAOVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H.
What are the key properties of benzyl 2-amino-4-methylpentanoate;hydrochloride?
benzyl 2-amino-4-methylpentanoate;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 19885596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).