N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide

C10H19N3O — CID 92632000

IUPACN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)C2CNC2)C1
InChIInChI=1S/C10H19N3O/c1-13-3-2-8(7-13)4-12-10(14)9-5-11-6-9/h8-9,11H,2-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyKCFKEZIRESFODV-QMMMGPOBSA-N
MW197.28 g/mol
LogP-0.73
Rot. Bonds3

About N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide

N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide (PubChem CID 92632000) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
PubChem CID92632000
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)C2CNC2)C1
InChIInChI=1S/C10H19N3O/c1-13-3-2-8(7-13)4-12-10(14)9-5-11-6-9/h8-9,11H,2-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyKCFKEZIRESFODV-QMMMGPOBSA-N
XLogP-0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide (CID 92632000) is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide is CN1CC[C@@H](CNC(=O)C2CNC2)C1.
What is the InChIKey of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide?
The InChIKey is KCFKEZIRESFODV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-3-2-8(7-13)4-12-10(14)9-5-11-6-9/h8-9,11H,2-7H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide?
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 92632000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).