[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride

C10H15ClN2O2 — CID 67583702

IUPAC[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m1./s1
InChIKeyKAOVAAHCFNYXNJ-SBSPUUFOSA-N
MW230.70 g/mol
LogP1.07
Rot. Bonds4

About [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride

[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride (PubChem CID 67583702) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride
PubChem CID67583702
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m1./s1
InChIKeyKAOVAAHCFNYXNJ-SBSPUUFOSA-N
XLogP1.07
TPSA78.34 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride?
The IUPAC name of [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride (CID 67583702) is [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride.
What is the SMILES notation for [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride?
The canonical SMILES for [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride is Cl.NC(=O)OC[C@H](N)Cc1ccccc1.
What is the InChIKey of [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride?
The InChIKey is KAOVAAHCFNYXNJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m1./s1.
What are the key properties of [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride?
[(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-phenylpropyl] carbamate;hydrochloride is sourced from PubChem (CID 67583702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).