N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide

C10H18N2O2 — CID 102779646

IUPACN-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CC(O)C1
InChIInChI=1S/C10H18N2O2/c1-6-2-3-11-9(6)10(14)12-7-4-8(13)5-7/h6-9,11,13H,2-5H2,1H3,(H,12,14)
InChIKeyZWHCFVZJCJUJFL-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.38
Rot. Bonds2

About N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide

N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779646) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779646
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CC(O)C1
InChIInChI=1S/C10H18N2O2/c1-6-2-3-11-9(6)10(14)12-7-4-8(13)5-7/h6-9,11,13H,2-5H2,1H3,(H,12,14)
InChIKeyZWHCFVZJCJUJFL-UHFFFAOYSA-N
XLogP-0.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide (CID 102779646) is N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1CC(O)C1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ZWHCFVZJCJUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6-2-3-11-9(6)10(14)12-7-4-8(13)5-7/h6-9,11,13H,2-5H2,1H3,(H,12,14).
What are the key properties of N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide?
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).