2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid

C16H25NO3 — CID 103259795

IUPAC2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)CC1(CNCc2occc2C(=O)O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12(2)9-16(6-3-4-7-16)11-17-10-14-13(15(18)19)5-8-20-14/h5,8,12,17H,3-4,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyXKVFHWCJXZTHJP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.67
Rot. Bonds7

About 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid

2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103259795) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
PubChem CID103259795
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)CC1(CNCc2occc2C(=O)O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12(2)9-16(6-3-4-7-16)11-17-10-14-13(15(18)19)5-8-20-14/h5,8,12,17H,3-4,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyXKVFHWCJXZTHJP-UHFFFAOYSA-N
XLogP3.67
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103260311
1-methyl-5-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrazole-4-carboxylic acid
CID 116631379
4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103259792
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-[[(5-ethylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106004291
2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid (CID 103259795) is 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid is CC(C)CC1(CNCc2occc2C(=O)O)CCCC1.
What is the InChIKey of 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is XKVFHWCJXZTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)9-16(6-3-4-7-16)11-17-10-14-13(15(18)19)5-8-20-14/h5,8,12,17H,3-4,6-7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103259795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).