[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate

C14H21NO3 — CID 102032535

IUPAC[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
SMILESCOC[C@H](NC[C@H](C)OC(C)=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(18-12(2)16)9-15-14(10-17-3)13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyYKNXOBRTGUTLDU-FZMZJTMJSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds7

About [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate

[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate (PubChem CID 102032535) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
PubChem CID102032535
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
SMILESCOC[C@H](NC[C@H](C)OC(C)=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(18-12(2)16)9-15-14(10-17-3)13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyYKNXOBRTGUTLDU-FZMZJTMJSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate with MolForge

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Related Compounds

2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
CID 103947386

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate?
The IUPAC name of [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate (CID 102032535) is [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate is COC[C@H](NC[C@H](C)OC(C)=O)c1ccccc1.
What is the InChIKey of [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate?
The InChIKey is YKNXOBRTGUTLDU-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(18-12(2)16)9-15-14(10-17-3)13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate?
[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate has a molecular weight of 251.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate is sourced from PubChem (CID 102032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).