4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid

C8H11NO3S — CID 156789999

IUPAC4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
SMILESNC(c1cccs1)C(O)CC(=O)O
InChIInChI=1S/C8H11NO3S/c9-8(5(10)4-7(11)12)6-2-1-3-13-6/h1-3,5,8,10H,4,9H2,(H,11,12)
InChIKeyXYVIIZRTRWYPMZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.58
Rot. Bonds4

About 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid

4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid (PubChem CID 156789999) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
PubChem CID156789999
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
SMILESNC(c1cccs1)C(O)CC(=O)O
InChIInChI=1S/C8H11NO3S/c9-8(5(10)4-7(11)12)6-2-1-3-13-6/h1-3,5,8,10H,4,9H2,(H,11,12)
InChIKeyXYVIIZRTRWYPMZ-UHFFFAOYSA-N
XLogP0.58
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-thiophen-2-ylpentanedioic acid
CID 139509804
2-amino-3-thiophen-2-ylpentanedioic acid
CID 174368637
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
4,4,4-trichloro-3-thiophen-2-ylbutanoic acid
CID 70594713
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 65264312
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid?
The IUPAC name of 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid (CID 156789999) is 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid is NC(c1cccs1)C(O)CC(=O)O.
What is the InChIKey of 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid?
The InChIKey is XYVIIZRTRWYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c9-8(5(10)4-7(11)12)6-2-1-3-13-6/h1-3,5,8,10H,4,9H2,(H,11,12).
What are the key properties of 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid?
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid has a molecular weight of 201.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 156789999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).