2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid

C14H24N2O3 — CID 82750454

IUPAC2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-13(17)18)14(19)15-8-7-11-5-3-4-6-12(11)15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQAGDUFGYMVIQQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds3

About 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid

2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 82750454) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID82750454
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-13(17)18)14(19)15-8-7-11-5-3-4-6-12(11)15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQAGDUFGYMVIQQD-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid with MolForge

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Related Compounds

3-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(ethyl)amino]butanoic acid
CID 82749686
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 102727473
2-[2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl(methyl)amino]acetic acid
CID 65319995
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
2-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 124678250
2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120581106
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
2-cyclopentyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 116655257
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 70398798
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61008209
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 82747297

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid (CID 82750454) is 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CCC2CCCCC21.
What is the InChIKey of 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is QAGDUFGYMVIQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)16(9-13(17)18)14(19)15-8-7-11-5-3-4-6-12(11)15/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid?
2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 82750454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).