2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid

C9H11NO4S — CID 115284231

IUPAC2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
SMILESCCOC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C9H11NO4S/c1-2-14-9(13)10-7(8(11)12)6-4-3-5-15-6/h3-5,7H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyCESAGOABKHVQLM-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.62
Rot. Bonds4

About 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid

2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284231) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284231
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
SMILESCCOC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C9H11NO4S/c1-2-14-9(13)10-7(8(11)12)6-4-3-5-15-6/h3-5,7H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyCESAGOABKHVQLM-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methoxycarbonylamino]-2-thiophen-2-ylacetic acid
CID 22757837
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
2-thiophen-2-yl-2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid
CID 115284238
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid (CID 115284231) is 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid is CCOC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is CESAGOABKHVQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-14-9(13)10-7(8(11)12)6-4-3-5-15-6/h3-5,7H,2H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid?
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 229.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).