(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid

C11H16N2O3S — CID 83193853

IUPAC(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
SMILESCC(NC(=O)CN[C@H](C)C(=O)O)c1cccs1
InChIInChI=1S/C11H16N2O3S/c1-7(9-4-3-5-17-9)13-10(14)6-12-8(2)11(15)16/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyWAISFYWRAGPKFK-BRFYHDHCSA-N
MW256.33 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid

(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid (PubChem CID 83193853) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
PubChem CID83193853
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
SMILESCC(NC(=O)CN[C@H](C)C(=O)O)c1cccs1
InChIInChI=1S/C11H16N2O3S/c1-7(9-4-3-5-17-9)13-10(14)6-12-8(2)11(15)16/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyWAISFYWRAGPKFK-BRFYHDHCSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid with MolForge

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Related Compounds

2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
CID 62639758
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid (CID 83193853) is (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid is CC(NC(=O)CN[C@H](C)C(=O)O)c1cccs1.
What is the InChIKey of (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid?
The InChIKey is WAISFYWRAGPKFK-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(9-4-3-5-17-9)13-10(14)6-12-8(2)11(15)16/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid?
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 83193853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).