N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide

C9H18N2O2 — CID 65036211

IUPACN-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(CO)CNC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-7(6-12)4-11-9(13)8-2-3-10-5-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyZDIHFAVDWGDAGY-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.66
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide

N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 65036211) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID65036211
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(CO)CNC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-7(6-12)4-11-9(13)8-2-3-10-5-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyZDIHFAVDWGDAGY-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959969
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119902553
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-(2-hydroxypentyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119783584
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide (CID 65036211) is N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide is CC(CO)CNC(=O)C1CCNC1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is ZDIHFAVDWGDAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(6-12)4-11-9(13)8-2-3-10-5-8/h7-8,10,12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65036211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).