N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide

C11H20N2O3 — CID 114760680

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCCCO1
InChIInChI=1S/C11H20N2O3/c14-10(9-3-1-2-6-16-9)13-8-11(15)4-5-12-7-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyCWXKMUJQXZOUNV-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.60
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide (PubChem CID 114760680) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
PubChem CID114760680
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCCCO1
InChIInChI=1S/C11H20N2O3/c14-10(9-3-1-2-6-16-9)13-8-11(15)4-5-12-7-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyCWXKMUJQXZOUNV-UHFFFAOYSA-N
XLogP-0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide (CID 114760680) is N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide is O=C(NCC1(O)CCNC1)C1CCCCO1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide?
The InChIKey is CWXKMUJQXZOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10(9-3-1-2-6-16-9)13-8-11(15)4-5-12-7-11/h9,12,15H,1-8H2,(H,13,14).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 114760680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).