2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid

C14H17NO5 — CID 63688559

IUPAC2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C=O)C2CC2)cc1OC
InChIInChI=1S/C14H17NO5/c1-19-11-6-3-9(7-12(11)20-2)13(14(17)18)15(8-16)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,17,18)
InChIKeyIAOQCDAWCGTIFQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.45
Rot. Bonds7

About 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid

2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid (PubChem CID 63688559) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
PubChem CID63688559
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C=O)C2CC2)cc1OC
InChIInChI=1S/C14H17NO5/c1-19-11-6-3-9(7-12(11)20-2)13(14(17)18)15(8-16)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,17,18)
InChIKeyIAOQCDAWCGTIFQ-UHFFFAOYSA-N
XLogP1.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63689483
2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 114937473
2-[cyclopropyl(formyl)amino]-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63687810
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
2-[acetyl(cyclopropyl)amino]-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 63703990
2-(3-bromo-4-methoxyphenyl)-2-[formyl(methyl)amino]acetic acid
CID 63688709
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
CID 72853536
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid (CID 63688559) is 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)N(C=O)C2CC2)cc1OC.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The InChIKey is IAOQCDAWCGTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-6-3-9(7-12(11)20-2)13(14(17)18)15(8-16)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 63688559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).