2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H12N2O7S — CID 61329440

IUPAC2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOC(=O)c1sccc1NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H12N2O7S/c1-19-10(17)9-6(2-3-21-9)12-11(18)13-7(14)4-20-5-8(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H2,12,13,14,18)
InChIKeyQQMLGYPVMUGTQB-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.28
Rot. Bonds6

About 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61329440) has the molecular formula C11H12N2O7S and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61329440
Molecular FormulaC11H12N2O7S
Molecular Weight316.29 g/mol
Exact Mass316.04
IUPAC Name2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCOC(=O)c1sccc1NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H12N2O7S/c1-19-10(17)9-6(2-3-21-9)12-11(18)13-7(14)4-20-5-8(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H2,12,13,14,18)
InChIKeyQQMLGYPVMUGTQB-UHFFFAOYSA-N
XLogP0.28
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
methyl 3-(3,3-diphenylpropanoylamino)thiophene-2-carboxylate
CID 3421520
methyl 3-[[(2S)-2-aminobutanoyl]amino]thiophene-2-carboxylate
CID 79023231
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
CID 18199794
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61329440) is 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid is COC(=O)c1sccc1NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is QQMLGYPVMUGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O7S/c1-19-10(17)9-6(2-3-21-9)12-11(18)13-7(14)4-20-5-8(15)16/h2-3H,4-5H2,1H3,(H,15,16)(H2,12,13,14,18).
What are the key properties of 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 316.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).