N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide

C19H32N2O3 — CID 167806185

IUPACN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)C1CC(O)(C2(O)CCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(15-10-19(24,11-15)18(23)7-3-8-18)20-16-6-9-21(13-16)12-14-4-1-2-5-14/h14-16,23-24H,1-13H2,(H,20,22)
InChIKeyLECWUCGWLRYDFE-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.42
Rot. Bonds5

About N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide (PubChem CID 167806185) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
PubChem CID167806185
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)C1CC(O)(C2(O)CCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(15-10-19(24,11-15)18(23)7-3-8-18)20-16-6-9-21(13-16)12-14-4-1-2-5-14/h14-16,23-24H,1-13H2,(H,20,22)
InChIKeyLECWUCGWLRYDFE-UHFFFAOYSA-N
XLogP1.42
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310
(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98790786
N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
CID 96568508
N-[1-(cyclopentylmethyl)piperidin-4-yl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120954753
N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91905819
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
CID 75494433
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431139
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide (CID 167806185) is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide is O=C(NC1CCN(CC2CCCC2)C1)C1CC(O)(C2(O)CCC2)C1.
What is the InChIKey of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide?
The InChIKey is LECWUCGWLRYDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-17(15-10-19(24,11-15)18(23)7-3-8-18)20-16-6-9-21(13-16)12-14-4-1-2-5-14/h14-16,23-24H,1-13H2,(H,20,22).
What are the key properties of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide?
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167806185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).