3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid

C16H24N2O4 — CID 122008074

IUPAC3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(CC(C)CNC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O4/c1-12(10-13-4-6-14(22-3)7-5-13)11-17-16(21)18(2)9-8-15(19)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBIAMUKDNWZMOLN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.99
Rot. Bonds8

About 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid

3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid (PubChem CID 122008074) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
PubChem CID122008074
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(CC(C)CNC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O4/c1-12(10-13-4-6-14(22-3)7-5-13)11-17-16(21)18(2)9-8-15(19)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBIAMUKDNWZMOLN-UHFFFAOYSA-N
XLogP1.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid with MolForge

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Related Compounds

N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 120705474
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122005203
1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110307112
3-[[4-(3-methoxy-2-methyl-3-oxopropyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122089886
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124571320
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122156338
2-[[(butan-2-ylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035543

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid (CID 122008074) is 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid is COc1ccc(CC(C)CNC(=O)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is BIAMUKDNWZMOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(10-13-4-6-14(22-3)7-5-13)11-17-16(21)18(2)9-8-15(19)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid?
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).