2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid

C12H16N2O5 — CID 114074920

IUPAC2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C(=O)OC)ccn1
InChIInChI=1S/C12H16N2O5/c1-18-6-5-14(8-11(15)16)10-7-9(3-4-13-10)12(17)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyXDKDDFCTTMOBFH-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.41
Rot. Bonds7

About 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid

2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 114074920) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID114074920
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C(=O)OC)ccn1
InChIInChI=1S/C12H16N2O5/c1-18-6-5-14(8-11(15)16)10-7-9(3-4-13-10)12(17)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyXDKDDFCTTMOBFH-UHFFFAOYSA-N
XLogP0.41
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
CID 54968848
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
CID 59303618
CID 59303618
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
CID 114075012
methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
CID 114075000
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid (CID 114074920) is 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)c1cc(C(=O)OC)ccn1.
What is the InChIKey of 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is XDKDDFCTTMOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-6-5-14(8-11(15)16)10-7-9(3-4-13-10)12(17)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 114074920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).