(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate

C10H12ClNO3 — CID 107837533

IUPAC(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
SMILESNC[C@H](O)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2/t9-/m0/s1
InChIKeyPFGABAGPUHAIAV-VIFPVBQESA-N
MW229.66 g/mol
LogP0.70
Rot. Bonds4

About (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate

(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate (PubChem CID 107837533) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
PubChem CID107837533
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
SMILESNC[C@H](O)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2/t9-/m0/s1
InChIKeyPFGABAGPUHAIAV-VIFPVBQESA-N
XLogP0.70
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-3-amino-2-hydroxypropanoate hydrochloride
CID 131717979
1-[(2-Chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4852520
(2-Chlorophenyl)methyl 2-aminoacetate hydrochloride
CID 54593145
Benzyl 3-amino-2-hydroxypropanoate
CID 14523461
1-[(2-Chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 16229473
Benzyl (2S)-3-amino-2-hydroxypropanoate
CID 14523462
(2-Fluorophenyl)methyl 3-amino-2-hydroxypropanoate
CID 66165396
1-[(2-Chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722374
(2-Chloro-6-fluorophenyl)methyl 3-aminopropanoate
CID 94261005
(2R)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol
CID 97180133
(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol
CID 97180134
(2R)-1-amino-3-[(3-chloro-4-fluorophenyl)methoxy]propan-2-ol
CID 97180149

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate?
The IUPAC name of (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate (CID 107837533) is (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate.
What is the SMILES notation for (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate?
The canonical SMILES for (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate is NC[C@H](O)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate?
The InChIKey is PFGABAGPUHAIAV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2/t9-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate?
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate has a molecular weight of 229.66 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate is sourced from PubChem (CID 107837533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).