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

C13H16N2O3 — CID 55097185

IUPAC2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyMWDZZNXLICDHBM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.20
Rot. Bonds3

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

2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid (PubChem CID 55097185) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
PubChem CID55097185
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyMWDZZNXLICDHBM-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2-[2H-benzotriazole-5-carbonyl(methyl)amino]propanoic acid
CID 62626737
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid (CID 55097185) is 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid?
The InChIKey is MWDZZNXLICDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8,14H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid?
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 55097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).