2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid

C15H20N2O3 — CID 61189508

IUPAC2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-11(2)17(10-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyDVRYQZCOIBDKQD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.35
Rot. Bonds4

About 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid

2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid (PubChem CID 61189508) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
PubChem CID61189508
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-11(2)17(10-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyDVRYQZCOIBDKQD-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189507
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid (CID 61189508) is 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The InChIKey is DVRYQZCOIBDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11(2)17(10-14(18)19)15(20)16-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 61189508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).