2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid

C15H19NO2 — CID 70360090

IUPAC2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1c2ccccc2C2CCCC21
InChIInChI=1S/C15H19NO2/c1-16(9-14(17)18)15-12-6-3-2-5-10(12)11-7-4-8-13(11)15/h2-3,5-6,11,13,15H,4,7-9H2,1H3,(H,17,18)
InChIKeyPLLMUYZYHXPDPN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds3

About 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid

2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid (PubChem CID 70360090) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid
PubChem CID70360090
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1c2ccccc2C2CCCC21
InChIInChI=1S/C15H19NO2/c1-16(9-14(17)18)15-12-6-3-2-5-10(12)11-7-4-8-13(11)15/h2-3,5-6,11,13,15H,4,7-9H2,1H3,(H,17,18)
InChIKeyPLLMUYZYHXPDPN-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70360119
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CID 118026509
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
2-[cycloheptyl(methyl)amino]acetic acid
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CID 90116953
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
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2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid
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ethyl (4bS,8aS,9R,10R)-10-hydroxy-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-9-carboxylate
CID 102302294
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
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2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid (CID 70360090) is 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid is CN(CC(=O)O)C1c2ccccc2C2CCCC21.
What is the InChIKey of 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid?
The InChIKey is PLLMUYZYHXPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(9-14(17)18)15-12-6-3-2-5-10(12)11-7-4-8-13(11)15/h2-3,5-6,11,13,15H,4,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid?
2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-4-yl(methyl)amino]acetic acid is sourced from PubChem (CID 70360090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).