2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid

C15H19NO5 — CID 62696695

IUPAC2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
SMILESCCOc1cc(C(=O)NC(C(=O)O)C2CC2)ccc1OC
InChIInChI=1S/C15H19NO5/c1-3-21-12-8-10(6-7-11(12)20-2)14(17)16-13(15(18)19)9-4-5-9/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWHFTSLJZAEAPY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.69
Rot. Bonds7

About 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid

2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid (PubChem CID 62696695) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
PubChem CID62696695
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
SMILESCCOc1cc(C(=O)NC(C(=O)O)C2CC2)ccc1OC
InChIInChI=1S/C15H19NO5/c1-3-21-12-8-10(6-7-11(12)20-2)14(17)16-13(15(18)19)9-4-5-9/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWHFTSLJZAEAPY-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
CID 62697272
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid (CID 62696695) is 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid is CCOc1cc(C(=O)NC(C(=O)O)C2CC2)ccc1OC.
What is the InChIKey of 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid?
The InChIKey is KWHFTSLJZAEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-12-8-10(6-7-11(12)20-2)14(17)16-13(15(18)19)9-4-5-9/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 62696695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).