(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid

C14H14N2O3S — CID 61194297

IUPAC(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1cccs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyHFHGEIVPRWWUSD-GFCCVEGCSA-N
MW290.34 g/mol
LogP2.37
Rot. Bonds5

About (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid

(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid (PubChem CID 61194297) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
PubChem CID61194297
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1cccs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyHFHGEIVPRWWUSD-GFCCVEGCSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
(2S)-4-methoxy-4-oxo-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 63304895
(2R)-2-phenyl-2-(6-thiophen-2-ylhexanoylamino)acetic acid
CID 119367978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid (CID 61194297) is (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid is O=C(NCc1cccs1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
The InChIKey is HFHGEIVPRWWUSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid?
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61194297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).