N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide

C9H18N2O3 — CID 66188372

IUPACN-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCN1
InChIInChI=1S/C9H18N2O3/c1-9(14,6-12)5-11-8(13)7-3-2-4-10-7/h7,10,12,14H,2-6H2,1H3,(H,11,13)
InChIKeyXJFDUPGXAGUEJC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.40
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 66188372) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID66188372
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCN1
InChIInChI=1S/C9H18N2O3/c1-9(14,6-12)5-11-8(13)7-3-2-4-10-7/h7,10,12,14H,2-6H2,1H3,(H,11,13)
InChIKeyXJFDUPGXAGUEJC-UHFFFAOYSA-N
XLogP-1.40
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
CID 119345447

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide (CID 66188372) is N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide is CC(O)(CO)CNC(=O)C1CCCN1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is XJFDUPGXAGUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(14,6-12)5-11-8(13)7-3-2-4-10-7/h7,10,12,14H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 66188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).