1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid

C16H21NO2 — CID 115246507

IUPAC1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C16H21NO2/c18-15(19)16(7-2-8-16)11-17-10-12-5-6-13-3-1-4-14(13)9-12/h5-6,9,17H,1-4,7-8,10-11H2,(H,18,19)
InChIKeyAPZANNVEAHQBAC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds5

About 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246507) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115246507
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C16H21NO2/c18-15(19)16(7-2-8-16)11-17-10-12-5-6-13-3-1-4-14(13)9-12/h5-6,9,17H,1-4,7-8,10-11H2,(H,18,19)
InChIKeyAPZANNVEAHQBAC-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242954
1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 167987248
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid (CID 115246507) is 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNCc2ccc3c(c2)CCC3)CCC1.
What is the InChIKey of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is APZANNVEAHQBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(19)16(7-2-8-16)11-17-10-12-5-6-13-3-1-4-14(13)9-12/h5-6,9,17H,1-4,7-8,10-11H2,(H,18,19).
What are the key properties of 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).