2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid

C9H14N2O3S — CID 106435892

IUPAC2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
SMILESNC(CNCC(O)c1ccsc1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c10-7(9(13)14)3-11-4-8(12)6-1-2-15-5-6/h1-2,5,7-8,11-12H,3-4,10H2,(H,13,14)
InChIKeyXTHWKLHQOVSPPH-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.22
Rot. Bonds6

About 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid

2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid (PubChem CID 106435892) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
PubChem CID106435892
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
SMILESNC(CNCC(O)c1ccsc1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c10-7(9(13)14)3-11-4-8(12)6-1-2-15-5-6/h1-2,5,7-8,11-12H,3-4,10H2,(H,13,14)
InChIKeyXTHWKLHQOVSPPH-UHFFFAOYSA-N
XLogP-0.22
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]prop-2-enoic acid
CID 106435902
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685198
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid (CID 106435892) is 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid is NC(CNCC(O)c1ccsc1)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid?
The InChIKey is XTHWKLHQOVSPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-7(9(13)14)3-11-4-8(12)6-1-2-15-5-6/h1-2,5,7-8,11-12H,3-4,10H2,(H,13,14).
What are the key properties of 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid?
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid has a molecular weight of 230.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid is sourced from PubChem (CID 106435892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).