(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide

C16H22N2O5 — CID 11244168

IUPAC(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1
InChIInChI=1S/C16H22N2O5/c19-12-8-18(16(22)10-6-7-23-9-10)13(14(12)20)15(21)17-11-4-2-1-3-5-11/h6-7,9,11-14,19-20H,1-5,8H2,(H,17,21)/t12-,13?,14+/m0/s1
InChIKeyOOHIPRNNESGEBQ-SMEJFCCLSA-N
MW322.36 g/mol
LogP0.27
Rot. Bonds3

About (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide

(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide (PubChem CID 11244168) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide
PubChem CID11244168
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1
InChIInChI=1S/C16H22N2O5/c19-12-8-18(16(22)10-6-7-23-9-10)13(14(12)20)15(21)17-11-4-2-1-3-5-11/h6-7,9,11-14,19-20H,1-5,8H2,(H,17,21)/t12-,13?,14+/m0/s1
InChIKeyOOHIPRNNESGEBQ-SMEJFCCLSA-N
XLogP0.27
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 5276347
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide?
The IUPAC name of (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide (CID 11244168) is (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide is O=C(NC1CCCCC1)C1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1.
What is the InChIKey of (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide?
The InChIKey is OOHIPRNNESGEBQ-SMEJFCCLSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-12-8-18(16(22)10-6-7-23-9-10)13(14(12)20)15(21)17-11-4-2-1-3-5-11/h6-7,9,11-14,19-20H,1-5,8H2,(H,17,21)/t12-,13?,14+/m0/s1.
What are the key properties of (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide?
(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 11244168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).