2-(butylamino)-2-thiophen-3-ylacetic acid

C10H15NO2S — CID 84748440

IUPAC2-(butylamino)-2-thiophen-3-ylacetic acid
SMILESCCCCNC(C(=O)O)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-2-3-5-11-9(10(12)13)8-4-6-14-7-8/h4,6-7,9,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyTYNHYQZXOBJANL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.26
Rot. Bonds6

About 2-(butylamino)-2-thiophen-3-ylacetic acid

2-(butylamino)-2-thiophen-3-ylacetic acid (PubChem CID 84748440) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(butylamino)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-(butylamino)-2-thiophen-3-ylacetic acid
PubChem CID84748440
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(butylamino)-2-thiophen-3-ylacetic acid
SMILESCCCCNC(C(=O)O)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-2-3-5-11-9(10(12)13)8-4-6-14-7-8/h4,6-7,9,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyTYNHYQZXOBJANL-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid
CID 84748436
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
CID 61002802
2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
2-(butylamino)-2-thiophen-3-ylacetonitrile
CID 84816606
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
2-dodecylsulfanyl-2-thiophen-3-ylacetic acid
CID 70855199
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
2-(butylamino)-2-phenylacetamide
CID 14569005

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-(butylamino)-2-thiophen-3-ylacetic acid (CID 84748440) is 2-(butylamino)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-(butylamino)-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-(butylamino)-2-thiophen-3-ylacetic acid is CCCCNC(C(=O)O)c1ccsc1.
What is the InChIKey of 2-(butylamino)-2-thiophen-3-ylacetic acid?
The InChIKey is TYNHYQZXOBJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-5-11-9(10(12)13)8-4-6-14-7-8/h4,6-7,9,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 2-(butylamino)-2-thiophen-3-ylacetic acid?
2-(butylamino)-2-thiophen-3-ylacetic acid has a molecular weight of 213.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 84748440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).