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

C18H20N2O5 — CID 104985036

IUPAC2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCCN(C(=O)OCc1ccccc1)C(C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C18H20N2O5/c1-3-20(18(23)25-12-13-7-5-4-6-8-13)16(17(21)22)14-9-10-15(24-2)19-11-14/h4-11,16H,3,12H2,1-2H3,(H,21,22)
InChIKeyDJUKVNWVWOPJLX-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.87
Rot. Bonds7

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

2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 104985036) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID104985036
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCCN(C(=O)OCc1ccccc1)C(C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C18H20N2O5/c1-3-20(18(23)25-12-13-7-5-4-6-8-13)16(17(21)22)14-9-10-15(24-2)19-11-14/h4-11,16H,3,12H2,1-2H3,(H,21,22)
InChIKeyDJUKVNWVWOPJLX-UHFFFAOYSA-N
XLogP2.87
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 104985033
2-(4-bromo-3-methylphenyl)-2-[ethyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103714181
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
2-(3-cyclopropylphenyl)-2-[ethyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103740479
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770737
2-(4-bromophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664223
3-(6-methoxy-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104985047
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
2-(3,5-difluorophenyl)-2-[phenylmethoxycarbonyl(propyl)amino]acetic acid
CID 106528985
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 104985036) is 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is CCN(C(=O)OCc1ccccc1)C(C(=O)O)c1ccc(OC)nc1.
What is the InChIKey of 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is DJUKVNWVWOPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-20(18(23)25-12-13-7-5-4-6-8-13)16(17(21)22)14-9-10-15(24-2)19-11-14/h4-11,16H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 344.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 104985036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).