2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid

C17H18N2O5 — CID 104985033

IUPAC2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C17H18N2O5/c1-19(17(22)24-11-12-6-4-3-5-7-12)15(16(20)21)13-8-9-14(23-2)18-10-13/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyOUMBSPUPGZILAT-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.48
Rot. Bonds6

About 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid

2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid (PubChem CID 104985033) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
PubChem CID104985033
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C17H18N2O5/c1-19(17(22)24-11-12-6-4-3-5-7-12)15(16(20)21)13-8-9-14(23-2)18-10-13/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyOUMBSPUPGZILAT-UHFFFAOYSA-N
XLogP2.48
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 104985036
2-(4-bromophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664223
(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 97211103
2-(3-chlorophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664114
2-[methyl(phenylmethoxycarbonyl)amino]-2-(2,3,4-trimethoxyphenyl)acetic acid
CID 113235741
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-(6-methoxy-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104985047
2-(2-tert-butyl-1,3-thiazol-4-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 104862946
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103955761
benzyl N,N-dimethylcarbamate
CID 12963450
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid (CID 104985033) is 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid is COc1ccc(C(C(=O)O)N(C)C(=O)OCc2ccccc2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid?
The InChIKey is OUMBSPUPGZILAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-19(17(22)24-11-12-6-4-3-5-7-12)15(16(20)21)13-8-9-14(23-2)18-10-13/h3-10,15H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid?
2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 104985033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).