3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid

C11H17NO3S — CID 103251820

IUPAC3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
SMILESCOCC(NC(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H17NO3S/c1-8(6-9-4-3-5-16-9)12-10(7-15-2)11(13)14/h3-5,8,10,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyIGQGHAFFEBSCTJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.37
Rot. Bonds7

About 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid

3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid (PubChem CID 103251820) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
PubChem CID103251820
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
SMILESCOCC(NC(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H17NO3S/c1-8(6-9-4-3-5-16-9)12-10(7-15-2)11(13)14/h3-5,8,10,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyIGQGHAFFEBSCTJ-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
N-propan-2-yl-2-(1-thiophen-2-ylpropan-2-ylamino)propanamide
CID 63291724
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 23321929
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid (CID 103251820) is 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid is COCC(NC(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
The InChIKey is IGQGHAFFEBSCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(6-9-4-3-5-16-9)12-10(7-15-2)11(13)14/h3-5,8,10,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid?
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid has a molecular weight of 243.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 103251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).