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

C14H18N2O3 — CID 80565595

IUPAC2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,9,11,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyBQDZNDBZFXSGAX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds4

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

2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 80565595) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID80565595
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,9,11,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyBQDZNDBZFXSGAX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
CID 80566466
N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80563360
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
CID 80567157
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80563634
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid (CID 80565595) is 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1CNc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is BQDZNDBZFXSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)16(8-13(17)18)14(19)11-7-15-12-6-4-3-5-10(11)12/h3-6,9,11,15H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid?
2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.52, 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-3-carbonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 80565595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).