3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid

C16H24N2O4 — CID 122007167

IUPAC3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
SMILESCCCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C16H24N2O4/c1-3-11-22-14-6-4-5-13(12-14)7-9-17-16(21)18(2)10-8-15(19)20/h4-6,12H,3,7-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDSKTZSPCGOJBSR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.13
Rot. Bonds9

About 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid

3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 122007167) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
PubChem CID122007167
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
SMILESCCCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C16H24N2O4/c1-3-11-22-14-6-4-5-13(12-14)7-9-17-16(21)18(2)10-8-15(19)20/h4-6,12H,3,7-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDSKTZSPCGOJBSR-UHFFFAOYSA-N
XLogP2.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122007192
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2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
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3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
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3-[methyl-[2-(3-nitrophenyl)ethylcarbamoyl]amino]propanoic acid
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CID 122002816
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274
3-[3-[(3-propoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044223
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid (CID 122007167) is 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid is CCCOc1cccc(CCNC(=O)N(C)CCC(=O)O)c1.
What is the InChIKey of 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is DSKTZSPCGOJBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-11-22-14-6-4-5-13(12-14)7-9-17-16(21)18(2)10-8-15(19)20/h4-6,12H,3,7-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122007167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).