1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C14H20N2O4 — CID 115434026

IUPAC1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-16(9-11-5-4-8-20-11)13(19)15-10-14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyKIFNRIUESDLICO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.07
Rot. Bonds5

About 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434026) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434026
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-16(9-11-5-4-8-20-11)13(19)15-10-14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyKIFNRIUESDLICO-UHFFFAOYSA-N
XLogP2.07
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163076
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451347
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948920
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939

Frequently Asked Questions

What is the IUPAC name of 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115434026) is 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CN(Cc1ccco1)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KIFNRIUESDLICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(9-11-5-4-8-20-11)13(19)15-10-14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).