2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid

C15H21NO3 — CID 63074561

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H21NO3/c17-15(18)13-5-1-2-6-14(13)16(11-7-8-11)10-12-4-3-9-19-12/h3-4,9,11,13-14H,1-2,5-8,10H2,(H,17,18)
InChIKeyQYMHFRSTXLZQHX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.89
Rot. Bonds5

About 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid

2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63074561) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63074561
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H21NO3/c17-15(18)13-5-1-2-6-14(13)16(11-7-8-11)10-12-4-3-9-19-12/h3-4,9,11,13-14H,1-2,5-8,10H2,(H,17,18)
InChIKeyQYMHFRSTXLZQHX-UHFFFAOYSA-N
XLogP2.89
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid
CID 114990570
2-[cyclopropyl(furan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55003320
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
3-amino-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 115934626
1-amino-N-cyclopentyl-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 60940015

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid (CID 63074561) is 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QYMHFRSTXLZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)13-5-1-2-6-14(13)16(11-7-8-11)10-12-4-3-9-19-12/h3-4,9,11,13-14H,1-2,5-8,10H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid?
2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63074561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).