[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate

C14H19NO4 — CID 1469985

IUPAC[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H19NO4/c1-10(19-14(17)12-8-5-9-18-12)13(16)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyAALAMDHRAXQYQW-SNVBAGLBSA-N
MW265.31 g/mol
LogP2.27
Rot. Bonds4

About [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 1469985) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID1469985
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H19NO4/c1-10(19-14(17)12-8-5-9-18-12)13(16)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyAALAMDHRAXQYQW-SNVBAGLBSA-N
XLogP2.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
CID 3220216
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448655
[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 3220223
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 43817592
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 27315400
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 24530175
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2628765
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
N-cyclooctylfuran-2-carboxamide
CID 790432
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate (CID 1469985) is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate is C[C@@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is AALAMDHRAXQYQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(19-14(17)12-8-5-9-18-12)13(16)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 1469985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).