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

C10H15ClN2O2 — CID 141150294

IUPAC[(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride
SMILESCl.N[C@@H](CNC(=O)O)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-9(7-12-10(13)14)6-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyRDUWMEXOUFLPOE-SBSPUUFOSA-N
MW230.70 g/mol
LogP1.25
Rot. Bonds4

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

[(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride (PubChem CID 141150294) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride
PubChem CID141150294
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name[(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride
SMILESCl.N[C@@H](CNC(=O)O)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.ClH/c11-9(7-12-10(13)14)6-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2,(H,13,14);1H/t9-;/m1./s1
InChIKeyRDUWMEXOUFLPOE-SBSPUUFOSA-N
XLogP1.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Formetamide
CID 65614
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
Urea, (alpha-methylphenethyl)-
CID 95627
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
Phenethylcarbamic Acid
CID 448551
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183
tert-butyl N-(2-amino-1-phenylethyl)carbamate
CID 16740609
tert-butyl N-(2-amino-3-phenylpropyl)-N-methylcarbamate
CID 57826542
(1-Hydroxyaminomethyl-2-phenylethyl)carbamic acid tert-butyl ester
CID 16099872
2-Amino-N-[(2R)-2-amino-3-phenylpropyl] acetamide
CID 42645281
Formetorex, (R)-
CID 642315

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride?
The IUPAC name of [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride (CID 141150294) is [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride.
What is the SMILES notation for [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride?
The canonical SMILES for [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride is Cl.N[C@@H](CNC(=O)O)Cc1ccccc1.
What is the InChIKey of [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride?
The InChIKey is RDUWMEXOUFLPOE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-9(7-12-10(13)14)6-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride?
[(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-phenylpropyl]carbamic acid;hydrochloride is sourced from PubChem (CID 141150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).