(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid

C9H11NO3S — CID 28777850

IUPAC(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13)10-8(11)4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYPSZFFSPFRTNFJ-ZCFIWIBFSA-N
MW213.26 g/mol
LogP0.88
Rot. Bonds4

About (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid

(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid (PubChem CID 28777850) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
PubChem CID28777850
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13)10-8(11)4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYPSZFFSPFRTNFJ-ZCFIWIBFSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
(2R)-4-methylsulfanyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 28777321
4-methylsulfonyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43105283
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid (CID 28777850) is (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid is C[C@@H](NC(=O)Cc1ccsc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The InChIKey is YPSZFFSPFRTNFJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(9(12)13)10-8(11)4-7-2-3-14-5-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 28777850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).