3-methoxy-2-(thiophen-3-ylamino)propanoic acid

C8H11NO3S — CID 103255779

IUPAC3-methoxy-2-(thiophen-3-ylamino)propanoic acid
SMILESCOCC(Nc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO3S/c1-12-4-7(8(10)11)9-6-2-3-13-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)
InChIKeyJYQQDNBWJVIARB-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.26
Rot. Bonds5

About 3-methoxy-2-(thiophen-3-ylamino)propanoic acid

3-methoxy-2-(thiophen-3-ylamino)propanoic acid (PubChem CID 103255779) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-methoxy-2-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(thiophen-3-ylamino)propanoic acid
PubChem CID103255779
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-methoxy-2-(thiophen-3-ylamino)propanoic acid
SMILESCOCC(Nc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO3S/c1-12-4-7(8(10)11)9-6-2-3-13-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)
InChIKeyJYQQDNBWJVIARB-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-3-ylamino)hexanoic acid
CID 103255804
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977
3-methoxy-2-(4-sulfamoylanilino)propanoic acid
CID 81079040
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
2-methyl-3-oxo-3-(thiophen-3-ylamino)propanoic acid
CID 114898720
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(thiophen-3-ylamino)propanoic acid (CID 103255779) is 3-methoxy-2-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(thiophen-3-ylamino)propanoic acid is COCC(Nc1ccsc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(thiophen-3-ylamino)propanoic acid?
The InChIKey is JYQQDNBWJVIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-4-7(8(10)11)9-6-2-3-13-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11).
What are the key properties of 3-methoxy-2-(thiophen-3-ylamino)propanoic acid?
3-methoxy-2-(thiophen-3-ylamino)propanoic acid has a molecular weight of 201.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 103255779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).