benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride

C16H19ClN2O2 — CID 155973085

IUPACbenzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride
SMILESCl.NC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2.ClH/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13;/h1-10,15H,11-12,17H2,(H,18,19);1H/t15-;/m1./s1
InChIKeyDLKNXHKYHQWNTG-XFULWGLBSA-N
MW306.79 g/mol
LogP3.03
Rot. Bonds5

About benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride

benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride (PubChem CID 155973085) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride
PubChem CID155973085
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Namebenzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride
SMILESCl.NC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2.ClH/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13;/h1-10,15H,11-12,17H2,(H,18,19);1H/t15-;/m1./s1
InChIKeyDLKNXHKYHQWNTG-XFULWGLBSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride (CID 155973085) is benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride is Cl.NC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride?
The InChIKey is DLKNXHKYHQWNTG-XFULWGLBSA-N. The full InChI is InChI=1S/C16H18N2O2.ClH/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13;/h1-10,15H,11-12,17H2,(H,18,19);1H/t15-;/m1./s1.
What are the key properties of benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride?
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate;hydrochloride is sourced from PubChem (CID 155973085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).