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

C14H19NO5 — CID 62675508

IUPAC3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCOc1cc(C(=O)NCC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H19NO5/c1-4-20-12-7-10(5-6-11(12)19-3)13(16)15-8-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNFVCLCJPSVWBIG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds7

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

3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62675508) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID62675508
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCOc1cc(C(=O)NCC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H19NO5/c1-4-20-12-7-10(5-6-11(12)19-3)13(16)15-8-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNFVCLCJPSVWBIG-UHFFFAOYSA-N
XLogP1.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 62675508) is 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid is CCOc1cc(C(=O)NCC(C)C(=O)O)ccc1OC.
What is the InChIKey of 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is NFVCLCJPSVWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-20-12-7-10(5-6-11(12)19-3)13(16)15-8-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid?
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).