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

C15H16N2O3S — CID 61189678

IUPAC(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
SMILESO=C(NCCc1cccs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c18-14(19)13(11-5-2-1-3-6-11)17-15(20)16-9-8-12-7-4-10-21-12/h1-7,10,13H,8-9H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyLAWJSLJXLGXFJU-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.42
Rot. Bonds6

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

(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid (PubChem CID 61189678) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
PubChem CID61189678
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
SMILESO=C(NCCc1cccs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c18-14(19)13(11-5-2-1-3-6-11)17-15(20)16-9-8-12-7-4-10-21-12/h1-7,10,13H,8-9H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyLAWJSLJXLGXFJU-CYBMUJFWSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
(2R)-2-phenyl-2-(6-thiophen-2-ylhexanoylamino)acetic acid
CID 119367978
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
(2R)-2-(but-3-enylcarbamoylamino)-2-phenylacetic acid
CID 113465864
3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid (CID 61189678) is (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid is O=C(NCCc1cccs1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid?
The InChIKey is LAWJSLJXLGXFJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(19)13(11-5-2-1-3-6-11)17-15(20)16-9-8-12-7-4-10-21-12/h1-7,10,13H,8-9H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid?
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid has a molecular weight of 304.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61189678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).