(2R)-2-(thiophen-3-ylmethylamino)propanoic acid

C8H11NO2S — CID 51883451

IUPAC(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
SMILESC[C@@H](NCc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)9-4-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyOIDWAMZBNCKPCX-ZCFIWIBFSA-N
MW185.25 g/mol
LogP1.31
Rot. Bonds4

About (2R)-2-(thiophen-3-ylmethylamino)propanoic acid

(2R)-2-(thiophen-3-ylmethylamino)propanoic acid (PubChem CID 51883451) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (2R)-2-(thiophen-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
PubChem CID51883451
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
SMILESC[C@@H](NCc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)9-4-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyOIDWAMZBNCKPCX-ZCFIWIBFSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.31
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
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiophen-3-ylmethylamino)propanoic acid?
The IUPAC name of (2R)-2-(thiophen-3-ylmethylamino)propanoic acid (CID 51883451) is (2R)-2-(thiophen-3-ylmethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(thiophen-3-ylmethylamino)propanoic acid?
The canonical SMILES for (2R)-2-(thiophen-3-ylmethylamino)propanoic acid is C[C@@H](NCc1ccsc1)C(=O)O.
What is the InChIKey of (2R)-2-(thiophen-3-ylmethylamino)propanoic acid?
The InChIKey is OIDWAMZBNCKPCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6(8(10)11)9-4-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-(thiophen-3-ylmethylamino)propanoic acid?
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(thiophen-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 51883451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).