benzyl N-(2-aminoethyl)carbamate;hydrochloride

C10H15ClN2O2 — CID 12715871

IUPACbenzyl N-(2-aminoethyl)carbamate;hydrochloride
SMILESCl.NCCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H
InChIKeyQMLKQXIAPAAIEJ-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.29
Rot. Bonds4

About benzyl N-(2-aminoethyl)carbamate;hydrochloride

benzyl N-(2-aminoethyl)carbamate;hydrochloride (PubChem CID 12715871) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is benzyl N-(2-aminoethyl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(2-aminoethyl)carbamate;hydrochloride
PubChem CID12715871
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Namebenzyl N-(2-aminoethyl)carbamate;hydrochloride
SMILESCl.NCCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H
InChIKeyQMLKQXIAPAAIEJ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyloxycarbonylglycine
CID 14349
4-(((Benzyloxy)carbonyl)amino)butanoic acid
CID 21184
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl carbamate
CID 12136
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Carbobenzoxyglycylglycine
CID 95686
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
N-Benzyloxycarbonyl-beta-alanine
CID 75313
Methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate
CID 297850
Benzyl (hydrazinocarbonylmethyl)carbamate
CID 72771

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminoethyl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(2-aminoethyl)carbamate;hydrochloride (CID 12715871) is benzyl N-(2-aminoethyl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(2-aminoethyl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(2-aminoethyl)carbamate;hydrochloride is Cl.NCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-aminoethyl)carbamate;hydrochloride?
The InChIKey is QMLKQXIAPAAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H.
What are the key properties of benzyl N-(2-aminoethyl)carbamate;hydrochloride?
benzyl N-(2-aminoethyl)carbamate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminoethyl)carbamate;hydrochloride is sourced from PubChem (CID 12715871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).