[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate

C10H13ClN2O2 — CID 70099288

IUPAC[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
SMILESNC(=O)OC[C@@H](N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-1-2-7(4-8)5-9(12)6-15-10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)/t9-/m0/s1
InChIKeyZKHFWWPZJMNLEG-VIFPVBQESA-N
MW228.68 g/mol
LogP1.31
Rot. Bonds4

About [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate

[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate (PubChem CID 70099288) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
PubChem CID70099288
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
SMILESNC(=O)OC[C@@H](N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-1-2-7(4-8)5-9(12)6-15-10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)/t9-/m0/s1
InChIKeyZKHFWWPZJMNLEG-VIFPVBQESA-N
XLogP1.31
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
CID 70099504
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate?
The IUPAC name of [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate (CID 70099288) is [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate.
What is the SMILES notation for [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate?
The canonical SMILES for [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate is NC(=O)OC[C@@H](N)Cc1cccc(Cl)c1.
What is the InChIKey of [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate?
The InChIKey is ZKHFWWPZJMNLEG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-3-1-2-7(4-8)5-9(12)6-15-10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of [(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate?
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate has a molecular weight of 228.68 g/mol, XLogP of 1.31, 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-(3-chlorophenyl)propyl] carbamate is sourced from PubChem (CID 70099288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).