(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid

C15H15NO3S — CID 99849615

IUPAC(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
SMILESO=C(CCc1ccsc1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-13(7-6-11-8-9-20-10-11)16-14(15(18)19)12-4-2-1-3-5-12/h1-5,8-10,14H,6-7H2,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyUNRSWUCEOYYYGC-CQSZACIVSA-N
MW289.36 g/mol
LogP2.62
Rot. Bonds6

About (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid

(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid (PubChem CID 99849615) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
PubChem CID99849615
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
SMILESO=C(CCc1ccsc1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-13(7-6-11-8-9-20-10-11)16-14(15(18)19)12-4-2-1-3-5-12/h1-5,8-10,14H,6-7H2,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyUNRSWUCEOYYYGC-CQSZACIVSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
CID 51644623
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid (CID 99849615) is (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid is O=C(CCc1ccsc1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid?
The InChIKey is UNRSWUCEOYYYGC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-13(7-6-11-8-9-20-10-11)16-14(15(18)19)12-4-2-1-3-5-12/h1-5,8-10,14H,6-7H2,(H,16,17)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid?
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid has a molecular weight of 289.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid is sourced from PubChem (CID 99849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).