2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid

C13H16N2O6 — CID 65442777

IUPAC2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
SMILESCOc1cc(C(N)=O)ccc1OCC(NC(C)=O)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-7(16)15-9(13(18)19)6-21-10-4-3-8(12(14)17)5-11(10)20-2/h3-5,9H,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyDDJQAQMYDSKYIN-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.24
Rot. Bonds7

About 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid

2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid (PubChem CID 65442777) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
PubChem CID65442777
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
SMILESCOc1cc(C(N)=O)ccc1OCC(NC(C)=O)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-7(16)15-9(13(18)19)6-21-10-4-3-8(12(14)17)5-11(10)20-2/h3-5,9H,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyDDJQAQMYDSKYIN-UHFFFAOYSA-N
XLogP-0.24
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2190462
4-butoxy-3-methoxybenzamide
CID 47102628
2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid (CID 65442777) is 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid is COc1cc(C(N)=O)ccc1OCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid?
The InChIKey is DDJQAQMYDSKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-7(16)15-9(13(18)19)6-21-10-4-3-8(12(14)17)5-11(10)20-2/h3-5,9H,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid?
2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid has a molecular weight of 296.28 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 65442777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).