[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride

C10H14ClFN2O2 — CID 70099504

IUPAC[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H/t9-;/m0./s1
InChIKeyATHSBDDGSMEBAW-FVGYRXGTSA-N
MW248.69 g/mol
LogP1.21
Rot. Bonds4

About [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride

[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride (PubChem CID 70099504) has the molecular formula C10H14ClFN2O2 and a molecular weight of 248.69 g/mol. Its IUPAC name is [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
PubChem CID70099504
Molecular FormulaC10H14ClFN2O2
Molecular Weight248.69 g/mol
Exact Mass248.07
IUPAC Name[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H/t9-;/m0./s1
InChIKeyATHSBDDGSMEBAW-FVGYRXGTSA-N
XLogP1.21
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
CID 118340477
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride?
The IUPAC name of [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride (CID 70099504) is [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride.
What is the SMILES notation for [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride?
The canonical SMILES for [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride is Cl.NC(=O)OC[C@@H](N)Cc1ccc(F)cc1.
What is the InChIKey of [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride?
The InChIKey is ATHSBDDGSMEBAW-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13FN2O2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-15-10(13)14;/h1-4,9H,5-6,12H2,(H2,13,14);1H/t9-;/m0./s1.
What are the key properties of [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride?
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride has a molecular weight of 248.69 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride is sourced from PubChem (CID 70099504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).