N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide

C12H22N2O3 — CID 106134352

IUPACN-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC2CCC(O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-5-11(13-7-10)12(16)14-6-8-2-3-9(15)4-8/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyVJBGECISYDWATR-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 106134352) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID106134352
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC2CCC(O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-5-11(13-7-10)12(16)14-6-8-2-3-9(15)4-8/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyVJBGECISYDWATR-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide (CID 106134352) is N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCC2CCC(O)C2)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is VJBGECISYDWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-10-5-11(13-7-10)12(16)14-6-8-2-3-9(15)4-8/h8-11,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 106134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).