2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid

C17H18N2O5 — CID 58556988

IUPAC2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCCOC(=O)c1cccc(NC(C(=O)O)c2ccc(OC)nc2)c1
InChIInChI=1S/C17H18N2O5/c1-3-24-17(22)11-5-4-6-13(9-11)19-15(16(20)21)12-7-8-14(23-2)18-10-12/h4-10,15,19H,3H2,1-2H3,(H,20,21)
InChIKeyDFNNROBBAZNWCJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.50
Rot. Bonds7

About 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid

2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 58556988) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID58556988
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCCOC(=O)c1cccc(NC(C(=O)O)c2ccc(OC)nc2)c1
InChIInChI=1S/C17H18N2O5/c1-3-24-17(22)11-5-4-6-13(9-11)19-15(16(20)21)12-7-8-14(23-2)18-10-12/h4-10,15,19H,3H2,1-2H3,(H,20,21)
InChIKeyDFNNROBBAZNWCJ-UHFFFAOYSA-N
XLogP2.50
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxycarbonylanilino)propanoic acid
CID 66172089
2-(3-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937337
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
ethyl 3-[1-(4-bromophenyl)ethylamino]benzoate
CID 43321951
ethyl 3-[1-(4-fluorophenyl)ethylamino]benzoate
CID 43217241
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
ethyl 3-[1-(3-bromophenyl)ethylamino]benzoate
CID 43321950
2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 58556932
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid (CID 58556988) is 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid is CCOC(=O)c1cccc(NC(C(=O)O)c2ccc(OC)nc2)c1.
What is the InChIKey of 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is DFNNROBBAZNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-24-17(22)11-5-4-6-13(9-11)19-15(16(20)21)12-7-8-14(23-2)18-10-12/h4-10,15,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 330.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycarbonylanilino)-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 58556988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).