5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide

C13H20N2O3 — CID 115360097

IUPAC5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
SMILESNCc1ccc(C(=O)NCC2(CO)CCCC2)o1
InChIInChI=1S/C13H20N2O3/c14-7-10-3-4-11(18-10)12(17)15-8-13(9-16)5-1-2-6-13/h3-4,16H,1-2,5-9,14H2,(H,15,17)
InChIKeyCGQKNKKHSQIWPM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.02
Rot. Bonds5

About 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide

5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide (PubChem CID 115360097) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
PubChem CID115360097
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
SMILESNCc1ccc(C(=O)NCC2(CO)CCCC2)o1
InChIInChI=1S/C13H20N2O3/c14-7-10-3-4-11(18-10)12(17)15-8-13(9-16)5-1-2-6-13/h3-4,16H,1-2,5-9,14H2,(H,15,17)
InChIKeyCGQKNKKHSQIWPM-UHFFFAOYSA-N
XLogP1.02
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
4-[(5-Methyl-furan-2-carbonyl)-amino]-butyric acid
CID 573299
N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 903828
5-tert-butyl-N-[3-[(5-tert-butyl-3-methylfuran-2-carbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 3153878
N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 739189
N-(cyclohexylmethyl)furan-2-carboxamide
CID 1245006
5-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 24981253
5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]butyl]furan-2-carboxamide
CID 1754370
(S)-N-(1-hydroxy-3-phenylpropan-2-yl)furan-2-carboxamide
CID 24747792

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide (CID 115360097) is 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide is NCc1ccc(C(=O)NCC2(CO)CCCC2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The InChIKey is CGQKNKKHSQIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-7-10-3-4-11(18-10)12(17)15-8-13(9-16)5-1-2-6-13/h3-4,16H,1-2,5-9,14H2,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 115360097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).