methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate

C12H16ClNO3 — CID 139647161

IUPACmethyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-8(12(16)17-2)14-7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,14-15H,7H2,1-2H3/t8-,11+/m1/s1
InChIKeyHTFQHZDYMBMHNJ-KCJUWKMLSA-N
MW257.72 g/mol
LogP1.52
Rot. Bonds5

About methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate

methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate (PubChem CID 139647161) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
PubChem CID139647161
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-8(12(16)17-2)14-7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,14-15H,7H2,1-2H3/t8-,11+/m1/s1
InChIKeyHTFQHZDYMBMHNJ-KCJUWKMLSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate with MolForge

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Related Compounds

(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoate;hydrochloride
CID 44522674
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]pentanoate
CID 139655941
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
(E)-3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enamide
CID 88735044

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate (CID 139647161) is methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate is COC(=O)[C@@H](C)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate?
The InChIKey is HTFQHZDYMBMHNJ-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(12(16)17-2)14-7-11(15)9-4-3-5-10(13)6-9/h3-6,8,11,14-15H,7H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate?
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate has a molecular weight of 257.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate is sourced from PubChem (CID 139647161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).