2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid

C9H14N2O2S — CID 64583236

IUPAC2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NCC(N)C(=O)O)c1cccs1
InChIInChI=1S/C9H14N2O2S/c1-6(8-3-2-4-14-8)11-5-7(10)9(12)13/h2-4,6-7,11H,5,10H2,1H3,(H,12,13)
InChIKeyDUCLZUPVODLTEN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid

2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid (PubChem CID 64583236) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
PubChem CID64583236
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NCC(N)C(=O)O)c1cccs1
InChIInChI=1S/C9H14N2O2S/c1-6(8-3-2-4-14-8)11-5-7(10)9(12)13/h2-4,6-7,11H,5,10H2,1H3,(H,12,13)
InChIKeyDUCLZUPVODLTEN-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
methyl 2-bromo-3-(1-thiophen-2-ylethylamino)propanoate
CID 103238683
2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 103244688
(E)-3-methyl-4-(1-thiophen-2-ylethylamino)but-2-enoic acid
CID 103238692
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid?
The IUPAC name of 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid (CID 64583236) is 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid is CC(NCC(N)C(=O)O)c1cccs1.
What is the InChIKey of 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid?
The InChIKey is DUCLZUPVODLTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(8-3-2-4-14-8)11-5-7(10)9(12)13/h2-4,6-7,11H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid?
2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 64583236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).