(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid

C14H15NO3S — CID 11044071

IUPAC(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)[C@@H](N[C@@H](CO)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO3S/c16-9-11(10-5-2-1-3-6-10)15-13(14(17)18)12-7-4-8-19-12/h1-8,11,13,15-16H,9H2,(H,17,18)/t11-,13-/m0/s1
InChIKeyOVSNNCCWDAUOBB-AAEUAGOBSA-N
MW277.34 g/mol
LogP2.20
Rot. Bonds6

About (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid

(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 11044071) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID11044071
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)[C@@H](N[C@@H](CO)c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO3S/c16-9-11(10-5-2-1-3-6-10)15-13(14(17)18)12-7-4-8-19-12/h1-8,11,13,15-16H,9H2,(H,17,18)/t11-,13-/m0/s1
InChIKeyOVSNNCCWDAUOBB-AAEUAGOBSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-phenyl-2-[(thiophen-2-yl)formamido]propanoic acid
CID 1536646
(2S)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 664095
3-Phenyl-2-((thiophen-2-yl)formamido)propanoic acid
CID 3732659
4H,5H,6H,7H-thieno(3,2-c)pyridine-4-carboxylic acid hydrochloride
CID 47003508
Methyl (alphaS)-2-chloro-alpha-((2-(2-thienyl)ethyl)amino)benzeneacetate
CID 11120447
Phenyl[(thien-2-ylcarbonyl)amino]acetic acid
CID 2771101
4H,5H,6H,7H-thieno[2,3-c]pyridine-7-carboxylic acid hydrochloride
CID 126796946
(S)-4,5,6,7-Tetrahydrothieno[3,2-C]pyridine-6-carboxylic acid hcl
CID 162341613
Thiophenyl-phenylalanine
CID 54556826
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid
CID 12685856
N-[1-(5-fluorothiophen-2-yl)-2-hydroxyethyl]-3-phenylpropanamide
CID 17881531
(2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-thiophen-2-ylacetic acid
CID 22894907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid (CID 11044071) is (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid is O=C(O)[C@@H](N[C@@H](CO)c1ccccc1)c1cccs1.
What is the InChIKey of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is OVSNNCCWDAUOBB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-9-11(10-5-2-1-3-6-10)15-13(14(17)18)12-7-4-8-19-12/h1-8,11,13,15-16H,9H2,(H,17,18)/t11-,13-/m0/s1.
What are the key properties of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid?
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 277.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 11044071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).