N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

C11H22N2O2 — CID 107218541

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@H](C)CO)CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(4-5-12-7-11)10(15)13-9(3)6-14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t9-,11?/m1/s1
InChIKeyXRGRCTONTQTTBY-BFHBGLAWSA-N
MW214.31 g/mol
LogP0.12
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 107218541) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID107218541
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@H](C)CO)CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(4-5-12-7-11)10(15)13-9(3)6-14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t9-,11?/m1/s1
InChIKeyXRGRCTONTQTTBY-BFHBGLAWSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11217870
N-(1-hydroxy-4-methylpentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710422
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79249276
N-(1-hydroxy-3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79249835
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79388299
3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 105646139
N-(3,3-difluoro-2-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 105646421
N-(2-hydroxyethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 106980209
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 107479484
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107479496
N-(2,2-difluoro-3-hydroxypropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114154216
N-(1,3-dihydroxypropan-2-yl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 53788433

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 107218541) is N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N[C@H](C)CO)CCNC1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XRGRCTONTQTTBY-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)11(4-5-12-7-11)10(15)13-9(3)6-14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t9-,11?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107218541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).