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

C13H19NO4 — CID 103260311

IUPAC2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCC1(CO)CCCC1
InChIInChI=1S/C13H19NO4/c15-9-13(4-1-2-5-13)8-14-7-11-10(12(16)17)3-6-18-11/h3,6,14-15H,1-2,4-5,7-9H2,(H,16,17)
InChIKeyUMEZCIVQSNKDIA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.62
Rot. Bonds6

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

2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103260311) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
PubChem CID103260311
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCC1(CO)CCCC1
InChIInChI=1S/C13H19NO4/c15-9-13(4-1-2-5-13)8-14-7-11-10(12(16)17)3-6-18-11/h3,6,14-15H,1-2,4-5,7-9H2,(H,16,17)
InChIKeyUMEZCIVQSNKDIA-UHFFFAOYSA-N
XLogP1.62
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103259795
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]furan-3-carboxylic acid
CID 106178210
2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-[[(5-ethylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106004291
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]furan-3-carboxylic acid
CID 103248743
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 115358697

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid (CID 103260311) is 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNCC1(CO)CCCC1.
What is the InChIKey of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is UMEZCIVQSNKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-9-13(4-1-2-5-13)8-14-7-11-10(12(16)17)3-6-18-11/h3,6,14-15H,1-2,4-5,7-9H2,(H,16,17).
What are the key properties of 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid?
2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103260311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).