2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid

C10H14N2O3S — CID 115284784

IUPAC2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
SMILESNCCCC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c11-5-1-4-8(13)12-9(10(14)15)7-3-2-6-16-7/h2-3,6,9H,1,4-5,11H2,(H,12,13)(H,14,15)
InChIKeyVIICKSDCLJSODV-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.73
Rot. Bonds6

About 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid

2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284784) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284784
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
SMILESNCCCC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c11-5-1-4-8(13)12-9(10(14)15)7-3-2-6-16-7/h2-3,6,9H,1,4-5,11H2,(H,12,13)(H,14,15)
InChIKeyVIICKSDCLJSODV-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278774
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 82964540
2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284697
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid (CID 115284784) is 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid is NCCCC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is VIICKSDCLJSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-5-1-4-8(13)12-9(10(14)15)7-3-2-6-16-7/h2-3,6,9H,1,4-5,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid?
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 242.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).