2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid

C11H13N3O6S — CID 63646484

IUPAC2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1ccsc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H13N3O6S/c12-10(20)6-1-2-21-11(6)13-7(15)3-14(4-8(16)17)5-9(18)19/h1-2H,3-5H2,(H2,12,20)(H,13,15)(H,16,17)(H,18,19)
InChIKeySACYZYIQBLQFES-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.74
Rot. Bonds8

About 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid

2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid (PubChem CID 63646484) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
PubChem CID63646484
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC Name2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1ccsc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H13N3O6S/c12-10(20)6-1-2-21-11(6)13-7(15)3-14(4-8(16)17)5-9(18)19/h1-2H,3-5H2,(H2,12,20)(H,13,15)(H,16,17)(H,18,19)
InChIKeySACYZYIQBLQFES-UHFFFAOYSA-N
XLogP-0.74
TPSA150.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid with MolForge

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Related Compounds

2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 107485683
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
CID 62022573
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid (CID 63646484) is 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid is NC(=O)c1ccsc1NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is SACYZYIQBLQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c12-10(20)6-1-2-21-11(6)13-7(15)3-14(4-8(16)17)5-9(18)19/h1-2H,3-5H2,(H2,12,20)(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 315.31 g/mol, XLogP of -0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63646484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).