(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid

C14H13NO3S — CID 969744

IUPAC(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(17)9-11(10-5-2-1-3-6-10)15-14(18)12-7-4-8-19-12/h1-8,11H,9H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyBVVAEOFSEFESNP-LLVKDONJSA-N
MW275.33 g/mol
LogP2.69
Rot. Bonds5

About (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid

(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 969744) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID969744
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(17)9-11(10-5-2-1-3-6-10)15-14(18)12-7-4-8-19-12/h1-8,11H,9H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyBVVAEOFSEFESNP-LLVKDONJSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 141022338
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
CID 3585331
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid (CID 969744) is (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid is O=C(O)C[C@@H](NC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is BVVAEOFSEFESNP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(17)9-11(10-5-2-1-3-6-10)15-14(18)12-7-4-8-19-12/h1-8,11H,9H2,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 969744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).