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

C15H16N2O3S — CID 43093716

IUPAC2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1cccs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-9H,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyDNBBUVVIAGVNJZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.55
Rot. Bonds5

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

2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 43093716) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID43093716
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1cccs1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-9H,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyDNBBUVVIAGVNJZ-UHFFFAOYSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154
2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
CID 103463206
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid (CID 43093716) is 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is CC(NC(=O)NCc1cccs1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is DNBBUVVIAGVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-9H,10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid?
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 43093716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).