N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide

C9H18N2O3 — CID 66169338

IUPACN-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)CO)CCCN1
InChIInChI=1S/C9H18N2O3/c1-9(3-2-4-11-9)8(14)10-5-7(13)6-12/h7,11-13H,2-6H2,1H3,(H,10,14)
InChIKeyXXYDBABDKIQHTF-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.40
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide

N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 66169338) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID66169338
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)CO)CCCN1
InChIInChI=1S/C9H18N2O3/c1-9(3-2-4-11-9)8(14)10-5-7(13)6-12/h7,11-13H,2-6H2,1H3,(H,10,14)
InChIKeyXXYDBABDKIQHTF-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

N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 165476452
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide
CID 113269287
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide (CID 66169338) is N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCC(O)CO)CCCN1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is XXYDBABDKIQHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(3-2-4-11-9)8(14)10-5-7(13)6-12/h7,11-13H,2-6H2,1H3,(H,10,14).
What are the key properties of N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide?
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-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-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66169338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).