ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate

C14H21NO3 — CID 25418419

IUPACethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
SMILESCCOC(=O)[C@@H](CNC)Cc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-18-14(16)12(10-15-2)8-11-6-5-7-13(9-11)17-3/h5-7,9,12,15H,4,8,10H2,1-3H3/t12-/m1/s1
InChIKeyFRQIOTRZRKCSPQ-GFCCVEGCSA-N
MW251.33 g/mol
LogP1.64
Rot. Bonds7

About ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate

ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate (PubChem CID 25418419) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
PubChem CID25418419
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
SMILESCCOC(=O)[C@@H](CNC)Cc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-18-14(16)12(10-15-2)8-11-6-5-7-13(9-11)17-3/h5-7,9,12,15H,4,8,10H2,1-3H3/t12-/m1/s1
InChIKeyFRQIOTRZRKCSPQ-GFCCVEGCSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-bromophenyl)methyl]-3-(methylamino)propanoate
CID 44890952
ethyl 2-chloro-3-[(3-methoxyphenyl)methylamino]propanoate
CID 121473132
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
CID 10934376
ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
CID 79040770
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 140551869

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate?
The IUPAC name of ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate (CID 25418419) is ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate.
What is the SMILES notation for ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate?
The canonical SMILES for ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate is CCOC(=O)[C@@H](CNC)Cc1cccc(OC)c1.
What is the InChIKey of ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate?
The InChIKey is FRQIOTRZRKCSPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-14(16)12(10-15-2)8-11-6-5-7-13(9-11)17-3/h5-7,9,12,15H,4,8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate?
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate is sourced from PubChem (CID 25418419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).