(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid

C14H14N2O3S — CID 141022338

IUPAC(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8,15H2,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyFVOWYNTYPBRKJC-LLVKDONJSA-N
MW290.34 g/mol
LogP2.28
Rot. Bonds5

About (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid

(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 141022338) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID141022338
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8,15H2,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyFVOWYNTYPBRKJC-LLVKDONJSA-N
XLogP2.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
CID 3585331
phenacyl (3S)-3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 40852828
phenacyl 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 3477347
3-(4-propoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 4182215
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid (CID 141022338) is (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid is Nc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1.
What is the InChIKey of (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is FVOWYNTYPBRKJC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8,15H2,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 141022338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).