N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide

C9H18N2O2 — CID 131154627

IUPACN-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](CO)NC(=O)C1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-7(6-12)10-9(13)8-3-4-11(2)5-8/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m0/s1
InChIKeyYXMUSZRPNJBAKZ-JAMMHHFISA-N
MW186.25 g/mol
LogP-0.56
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 131154627) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID131154627
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](CO)NC(=O)C1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-7(6-12)10-9(13)8-3-4-11(2)5-8/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m0/s1
InChIKeyYXMUSZRPNJBAKZ-JAMMHHFISA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
CID 91110236
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide (CID 131154627) is N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide is C[C@@H](CO)NC(=O)C1CCN(C)C1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is YXMUSZRPNJBAKZ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(6-12)10-9(13)8-3-4-11(2)5-8/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 131154627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).