2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid

C14H16N2O5 — CID 60662463

IUPAC2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H16N2O5/c17-12(7-21-8-13(18)19)16-11-4-2-1-3-10(11)14(20)15-9-5-6-9/h1-4,9H,5-8H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyDXSGAEGOIDEAEH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.62
Rot. Bonds7

About 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid

2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 60662463) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
PubChem CID60662463
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H16N2O5/c17-12(7-21-8-13(18)19)16-11-4-2-1-3-10(11)14(20)15-9-5-6-9/h1-4,9H,5-8H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyDXSGAEGOIDEAEH-UHFFFAOYSA-N
XLogP0.62
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806797
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066149
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627861
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid (CID 60662463) is 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is DXSGAEGOIDEAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(7-21-8-13(18)19)16-11-4-2-1-3-10(11)14(20)15-9-5-6-9/h1-4,9H,5-8H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).