(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid

C15H16N2O3S — CID 26896563

IUPAC(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cccs1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c18-14(19)13(9-11-5-2-1-3-6-11)17-15(20)16-10-12-7-4-8-21-12/h1-8,13H,9-10H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyZEZAIRIWDPKSIT-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.24
Rot. Bonds6

About (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid

(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 26896563) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID26896563
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1cccs1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O3S/c18-14(19)13(9-11-5-2-1-3-6-11)17-15(20)16-10-12-7-4-8-21-12/h1-8,13H,9-10H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyZEZAIRIWDPKSIT-CYBMUJFWSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
(2S)-4-methoxy-4-oxo-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 63304895
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoic acid
CID 947568
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (CID 26896563) is (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is O=C(NCc1cccs1)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is ZEZAIRIWDPKSIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(19)13(9-11-5-2-1-3-6-11)17-15(20)16-10-12-7-4-8-21-12/h1-8,13H,9-10H2,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 26896563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).