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

C13H16N2O3 — CID 80566211

IUPAC2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CNc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-7-14-11-6-4-3-5-9(10)11/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)
InChIKeyPXCGRMKBUYMSPM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.13
Rot. Bonds3

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

2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid (PubChem CID 80566211) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
PubChem CID80566211
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CNc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-7-14-11-6-4-3-5-9(10)11/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)
InChIKeyPXCGRMKBUYMSPM-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
CID 80566466
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-methyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935099
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935509
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177
3-methylbutan-2-yl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565850
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid (CID 80566211) is 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CNc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid?
The InChIKey is PXCGRMKBUYMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15(2)12(16)10-7-14-11-6-4-3-5-9(10)11/h3-6,8,10,14H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid?
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.13, 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-3-carbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 80566211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).