methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate

C16H16ClNO3 — CID 125466806

IUPACmethyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
SMILESCOC(=O)[C@@H](N)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-16(19)15(18)13-7-2-3-8-14(13)21-10-11-5-4-6-12(17)9-11/h2-9,15H,10,18H2,1H3/t15-/m0/s1
InChIKeyDEKCJOBNDBXRRZ-HNNXBMFYSA-N
MW305.76 g/mol
LogP3.09
Rot. Bonds5

About methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate

methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate (PubChem CID 125466806) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
PubChem CID125466806
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
SMILESCOC(=O)[C@@H](N)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-16(19)15(18)13-7-2-3-8-14(13)21-10-11-5-4-6-12(17)9-11/h2-9,15H,10,18H2,1H3/t15-/m0/s1
InChIKeyDEKCJOBNDBXRRZ-HNNXBMFYSA-N
XLogP3.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
CID 120501253
(2S)-2-amino-2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]acetic acid
CID 66513682
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
(3-chlorophenyl)methyl 2-[(3-chlorophenyl)methoxy]-4,6-dimethoxybenzoate
CID 162354080

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate?
The IUPAC name of methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate (CID 125466806) is methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate?
The canonical SMILES for methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate is COC(=O)[C@@H](N)c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate?
The InChIKey is DEKCJOBNDBXRRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-16(19)15(18)13-7-2-3-8-14(13)21-10-11-5-4-6-12(17)9-11/h2-9,15H,10,18H2,1H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate?
methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate has a molecular weight of 305.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate is sourced from PubChem (CID 125466806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).