2-(3-thiophen-3-ylpropanoylamino)propanoic acid

C10H13NO3S — CID 115731118

IUPAC2-(3-thiophen-3-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCc1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-7(10(13)14)11-9(12)3-2-8-4-5-15-6-8/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyKWIZNTTZDIAPMH-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.27
Rot. Bonds5

About 2-(3-thiophen-3-ylpropanoylamino)propanoic acid

2-(3-thiophen-3-ylpropanoylamino)propanoic acid (PubChem CID 115731118) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(3-thiophen-3-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-thiophen-3-ylpropanoylamino)propanoic acid
PubChem CID115731118
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-(3-thiophen-3-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCc1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-7(10(13)14)11-9(12)3-2-8-4-5-15-6-8/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyKWIZNTTZDIAPMH-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
CID 110004275

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-3-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-(3-thiophen-3-ylpropanoylamino)propanoic acid (CID 115731118) is 2-(3-thiophen-3-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-(3-thiophen-3-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-(3-thiophen-3-ylpropanoylamino)propanoic acid is CC(NC(=O)CCc1ccsc1)C(=O)O.
What is the InChIKey of 2-(3-thiophen-3-ylpropanoylamino)propanoic acid?
The InChIKey is KWIZNTTZDIAPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7(10(13)14)11-9(12)3-2-8-4-5-15-6-8/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-thiophen-3-ylpropanoylamino)propanoic acid?
2-(3-thiophen-3-ylpropanoylamino)propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-3-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 115731118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).