thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate

C14H15NO2S — CID 94230493

IUPACthiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OCc1cccs1
InChIInChI=1S/C14H15NO2S/c15-13(9-11-5-2-1-3-6-11)14(16)17-10-12-7-4-8-18-12/h1-8,13H,9-10,15H2/t13-/m1/s1
InChIKeyDJGAPRYHYCFEEQ-CYBMUJFWSA-N
MW261.35 g/mol
LogP2.36
Rot. Bonds5

About thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate

thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 94230493) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namethiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
PubChem CID94230493
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namethiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OCc1cccs1
InChIInChI=1S/C14H15NO2S/c15-13(9-11-5-2-1-3-6-11)14(16)17-10-12-7-4-8-18-12/h1-8,13H,9-10,15H2/t13-/m1/s1
InChIKeyDJGAPRYHYCFEEQ-CYBMUJFWSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
thiophen-2-ylmethyl N-[(2S)-1-phenyl-3-[[(2S)-3-phenyl-2-(thiophen-2-ylmethoxycarbonylamino)propyl]amino]propan-2-yl]carbamate
CID 11856859
benzyl 2-(thiophen-2-ylmethyl)butanoate
CID 132501737
2-oxoethyl (2S)-2-amino-3-phenylpropanoate
CID 91086101
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
CID 175525029
CID 175525029
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate (CID 94230493) is thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate is N[C@H](Cc1ccccc1)C(=O)OCc1cccs1.
What is the InChIKey of thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is DJGAPRYHYCFEEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO2S/c15-13(9-11-5-2-1-3-6-11)14(16)17-10-12-7-4-8-18-12/h1-8,13H,9-10,15H2/t13-/m1/s1.
What are the key properties of thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate?
thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 261.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 94230493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).