2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid

C14H18N2O3 — CID 61161820

IUPAC2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-3-4-12-10(7-11)5-6-15-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJMBCRLVPDBEQLE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.59
Rot. Bonds4

About 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid

2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 61161820) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID61161820
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-3-4-12-10(7-11)5-6-15-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJMBCRLVPDBEQLE-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
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
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-(2-amino-2-oxoethyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605877
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid (CID 61161820) is 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is JMBCRLVPDBEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-3-4-12-10(7-11)5-6-15-12/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid?
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.59, 4 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(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 61161820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).