[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate

C16H23NO4 — CID 3220213

IUPAC[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO4/c1-11(2)10-14(15(18)17-12-6-3-4-7-12)21-16(19)13-8-5-9-20-13/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyMLWVVXCSINXFEJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.91
Rot. Bonds6

About [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate

[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate (PubChem CID 3220213) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
PubChem CID3220213
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO4/c1-11(2)10-14(15(18)17-12-6-3-4-7-12)21-16(19)13-8-5-9-20-13/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyMLWVVXCSINXFEJ-UHFFFAOYSA-N
XLogP2.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate (CID 3220213) is [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate is CC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
The InChIKey is MLWVVXCSINXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)10-14(15(18)17-12-6-3-4-7-12)21-16(19)13-8-5-9-20-13/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate?
[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3220213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).