3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid

C15H22N2O4 — CID 122007192

IUPAC3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
SMILESCCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-6-4-5-12(11-13)7-9-16-15(20)17(2)10-8-14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHHBPFTPSUYVFLA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds8

About 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid

3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid (PubChem CID 122007192) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
PubChem CID122007192
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
SMILESCCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-6-4-5-12(11-13)7-9-16-15(20)17(2)10-8-14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHHBPFTPSUYVFLA-UHFFFAOYSA-N
XLogP1.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
3-[methyl-[2-(3-nitrophenyl)ethylcarbamoyl]amino]propanoic acid
CID 122008086
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816
3-[2-(3-ethoxyphenyl)ethyl-[2-[2-(2-phenylethylcarbamoyl)phenyl]benzoyl]amino]propanoic acid
CID 69431432
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
3-[[methyl-[2-(3-nitrophenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122018201
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid (CID 122007192) is 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid is CCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1.
What is the InChIKey of 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid?
The InChIKey is HHBPFTPSUYVFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-13-6-4-5-12(11-13)7-9-16-15(20)17(2)10-8-14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid?
3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122007192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).