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

C10H13N3O4S — CID 43467104

IUPAC2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1sccc1C(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-5(10(16)17)12-4-7(14)13-9-6(8(11)15)2-3-18-9/h2-3,5,12H,4H2,1H3,(H2,11,15)(H,13,14)(H,16,17)
InChIKeySGGQPEBCINCXBV-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.15
Rot. Bonds6

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

2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43467104) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43467104
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1sccc1C(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-5(10(16)17)12-4-7(14)13-9-6(8(11)15)2-3-18-9/h2-3,5,12H,4H2,1H3,(H2,11,15)(H,13,14)(H,16,17)
InChIKeySGGQPEBCINCXBV-UHFFFAOYSA-N
XLogP-0.15
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741
2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9377128
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 8755238
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
CID 62022573
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid (CID 43467104) is 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)Nc1sccc1C(N)=O)C(=O)O.
What is the InChIKey of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is SGGQPEBCINCXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-5(10(16)17)12-4-7(14)13-9-6(8(11)15)2-3-18-9/h2-3,5,12H,4H2,1H3,(H2,11,15)(H,13,14)(H,16,17).
What are the key properties of 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 271.30 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43467104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).