2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid

C14H18N2O3 — CID 62638284

IUPAC2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)16(2)14(19)15-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXJBWZKIELTGII-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds3

About 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid

2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 62638284) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
PubChem CID62638284
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)16(2)14(19)15-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXJBWZKIELTGII-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62637175
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 107576330

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid (CID 62638284) is 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is NXJBWZKIELTGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(13(17)18)16(2)14(19)15-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid?
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 62638284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).