ethyl 5-(benzylamino)pentanoate;hydrochloride

C14H22ClNO2 — CID 6602878

IUPACethyl 5-(benzylamino)pentanoate;hydrochloride
SMILESCCOC(=O)CCCCNCc1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13;/h3-5,8-9,15H,2,6-7,10-12H2,1H3;1H
InChIKeyAGJDOZIAKRPRSC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.93
Rot. Bonds8

About ethyl 5-(benzylamino)pentanoate;hydrochloride

ethyl 5-(benzylamino)pentanoate;hydrochloride (PubChem CID 6602878) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is ethyl 5-(benzylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(benzylamino)pentanoate;hydrochloride
PubChem CID6602878
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Nameethyl 5-(benzylamino)pentanoate;hydrochloride
SMILESCCOC(=O)CCCCNCc1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13;/h3-5,8-9,15H,2,6-7,10-12H2,1H3;1H
InChIKeyAGJDOZIAKRPRSC-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.93
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

ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
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2-[4-[[(4-ethoxy-4-oxobutyl)amino]methyl]phenyl]acetic acid
CID 103252914
methyl 8-[[4-(4-ethoxy-4-oxobutyl)phenyl]methylamino]octanoate
CID 129315330
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 7-[(N-benzyl-N'-methylcarbamimidoyl)amino]heptanoate
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ethyl 6-(phenylmethoxyamino)hexanoate
CID 64974453
ethyl 4-[(4-cyclopropylphenyl)methylamino]butanoate
CID 79984845
ethyl 2-(benzylamino)acetate;oxalic acid
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ethyl 6-(2-phenylpropylamino)hexanoate
CID 104591443
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
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ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)pentanoate;hydrochloride?
The IUPAC name of ethyl 5-(benzylamino)pentanoate;hydrochloride (CID 6602878) is ethyl 5-(benzylamino)pentanoate;hydrochloride.
What is the SMILES notation for ethyl 5-(benzylamino)pentanoate;hydrochloride?
The canonical SMILES for ethyl 5-(benzylamino)pentanoate;hydrochloride is CCOC(=O)CCCCNCc1ccccc1.Cl.
What is the InChIKey of ethyl 5-(benzylamino)pentanoate;hydrochloride?
The InChIKey is AGJDOZIAKRPRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-2-17-14(16)10-6-7-11-15-12-13-8-4-3-5-9-13;/h3-5,8-9,15H,2,6-7,10-12H2,1H3;1H.
What are the key properties of ethyl 5-(benzylamino)pentanoate;hydrochloride?
ethyl 5-(benzylamino)pentanoate;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylamino)pentanoate;hydrochloride is sourced from PubChem (CID 6602878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).