2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid

C13H16N2O4 — CID 61327867

IUPAC2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H16N2O4/c16-12(8-19-9-13(17)18)15(11-1-2-11)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18)
InChIKeyVWXOUHJNBFWQCM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327867) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327867
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H16N2O4/c16-12(8-19-9-13(17)18)15(11-1-2-11)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18)
InChIKeyVWXOUHJNBFWQCM-UHFFFAOYSA-N
XLogP0.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
N-cyclopropyl-2-imidazol-1-yl-N-(pyridin-4-ylmethyl)acetamide
CID 91777308
N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
CID 55412313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid (CID 61327867) is 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is VWXOUHJNBFWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(8-19-9-13(17)18)15(11-1-2-11)7-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).