methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate

C14H21NO3 — CID 43786749

IUPACmethyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(15-11(2)14(16)18-4)9-12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m0/s1
InChIKeyAGOXPPUJARZCLR-DTIOYNMSSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds6

About methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate

methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate (PubChem CID 43786749) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
PubChem CID43786749
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(15-11(2)14(16)18-4)9-12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m0/s1
InChIKeyAGOXPPUJARZCLR-DTIOYNMSSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate (CID 43786749) is methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate is COC(=O)[C@H](C)NC(C)Cc1ccccc1OC.
What is the InChIKey of methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate?
The InChIKey is AGOXPPUJARZCLR-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-11(2)14(16)18-4)9-12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate?
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate is sourced from PubChem (CID 43786749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).