2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid

C11H13N3O4S — CID 154425816

IUPAC2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid
SMILESCc1csc(C(NC(=O)N2CCNC2=O)C(=O)O)c1
InChIInChI=1S/C11H13N3O4S/c1-6-4-7(19-5-6)8(9(15)16)13-11(18)14-3-2-12-10(14)17/h4-5,8H,2-3H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyPVCNOAJKUOPKLD-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.92
Rot. Bonds3

About 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid

2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid (PubChem CID 154425816) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid
PubChem CID154425816
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid
SMILESCc1csc(C(NC(=O)N2CCNC2=O)C(=O)O)c1
InChIInChI=1S/C11H13N3O4S/c1-6-4-7(19-5-6)8(9(15)16)13-11(18)14-3-2-12-10(14)17/h4-5,8H,2-3H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyPVCNOAJKUOPKLD-UHFFFAOYSA-N
XLogP0.92
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-2-oxoimidazolidine-1-carboxamide
CID 20540544
(6S,7R)-3-methyl-8-oxo-7-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 7034774
(2R,5R,6S)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 24847914
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
CID 9052527
3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
CID 4640387
(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
CID 679214
1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one
CID 60954640
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid (CID 154425816) is 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid is Cc1csc(C(NC(=O)N2CCNC2=O)C(=O)O)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The InChIKey is PVCNOAJKUOPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-6-4-7(19-5-6)8(9(15)16)13-11(18)14-3-2-12-10(14)17/h4-5,8H,2-3H2,1H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid has a molecular weight of 283.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 154425816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).