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

C8H9NO4S — CID 59610805

IUPAC2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
SMILESCOC(=O)NC(C(=O)O)c1ccsc1
InChIInChI=1S/C8H9NO4S/c1-13-8(12)9-6(7(10)11)5-2-3-14-4-5/h2-4,6H,1H3,(H,9,12)(H,10,11)
InChIKeyIAPSRPISSMJBQC-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.23
Rot. Bonds3

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

2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid (PubChem CID 59610805) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
PubChem CID59610805
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
SMILESCOC(=O)NC(C(=O)O)c1ccsc1
InChIInChI=1S/C8H9NO4S/c1-13-8(12)9-6(7(10)11)5-2-3-14-4-5/h2-4,6H,1H3,(H,9,12)(H,10,11)
InChIKeyIAPSRPISSMJBQC-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
CID 61002802
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
CID 135134684
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-thiophen-3-ylacetic acid
CID 18793946

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid (CID 59610805) is 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid is COC(=O)NC(C(=O)O)c1ccsc1.
What is the InChIKey of 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid?
The InChIKey is IAPSRPISSMJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-8(12)9-6(7(10)11)5-2-3-14-4-5/h2-4,6H,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid?
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid has a molecular weight of 215.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 59610805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).