4-amino-4-thiophen-2-ylbutanoic acid

C8H11NO2S — CID 21318673

IUPAC4-amino-4-thiophen-2-ylbutanoic acid
SMILESNC(CCC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H,10,11)
InChIKeyMQXVPVVZSNSGRU-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.61
Rot. Bonds4

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

4-amino-4-thiophen-2-ylbutanoic acid (PubChem CID 21318673) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-amino-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-thiophen-2-ylbutanoic acid
PubChem CID21318673
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-amino-4-thiophen-2-ylbutanoic acid
SMILESNC(CCC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H,10,11)
InChIKeyMQXVPVVZSNSGRU-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
CID 156789999
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-(3-carboxy-1-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 70067264
4-thiophen-2-yl-4-triethylsilyloxybutanoic acid
CID 177439377
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-thiophen-2-ylbutanoic acid?
The IUPAC name of 4-amino-4-thiophen-2-ylbutanoic acid (CID 21318673) is 4-amino-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 4-amino-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for 4-amino-4-thiophen-2-ylbutanoic acid is NC(CCC(=O)O)c1cccs1.
What is the InChIKey of 4-amino-4-thiophen-2-ylbutanoic acid?
The InChIKey is MQXVPVVZSNSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H,10,11).
What are the key properties of 4-amino-4-thiophen-2-ylbutanoic acid?
4-amino-4-thiophen-2-ylbutanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 21318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).