3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid

C14H16N2O4 — CID 122094560

IUPAC3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H16N2O4/c1-16(7-6-13(18)19)14(20)15-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,2,5-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyXDMUXWWKOMKUCP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.75
Rot. Bonds4

About 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid (PubChem CID 122094560) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid
PubChem CID122094560
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc2c(c1)CCC2=O
InChIInChI=1S/C14H16N2O4/c1-16(7-6-13(18)19)14(20)15-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,2,5-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyXDMUXWWKOMKUCP-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(methyl)amino]propanoic acid
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3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
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3-[methyl-[(3-pyrrolidin-1-ylphenyl)carbamoyl]amino]propanoic acid
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CID 122077929
3-[methyl-[(4-oxo-2,3-dihydrochromen-8-yl)carbamoyl]amino]propanoic acid
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3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
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3-[(3,5-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 61189569
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
3-[(3-methoxycarbonylphenyl)carbamoyl-methylamino]propanoic acid
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3-[(3-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 60990103
2-methyl-3-[methyl-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)carbamoyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid (CID 122094560) is 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1ccc2c(c1)CCC2=O.
What is the InChIKey of 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid?
The InChIKey is XDMUXWWKOMKUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16(7-6-13(18)19)14(20)15-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,2,5-7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122094560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).