2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide

C10H19N3O2 — CID 66370776

IUPAC2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCNC(CN1CC2CCC(C1)O2)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-12-9(10(11)14)6-13-4-7-2-3-8(5-13)15-7/h7-9,12H,2-6H2,1H3,(H2,11,14)
InChIKeyCHXCEGFUMWZKCM-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.08
Rot. Bonds4

About 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide

2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 66370776) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID66370776
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCNC(CN1CC2CCC(C1)O2)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-12-9(10(11)14)6-13-4-7-2-3-8(5-13)15-7/h7-9,12H,2-6H2,1H3,(H2,11,14)
InChIKeyCHXCEGFUMWZKCM-UHFFFAOYSA-N
XLogP-1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66392329
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propan-2-ylamino)propanoic acid
CID 66370778
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
CID 103538030
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66391503
2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66372148
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
CID 104960300
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
CID 66391107
N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66392098
2,5-bis(methylamino)hexanediamide
CID 66221520
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)butanamide
CID 115561507

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 66370776) is 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide is CNC(CN1CC2CCC(C1)O2)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is CHXCEGFUMWZKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-9(10(11)14)6-13-4-7-2-3-8(5-13)15-7/h7-9,12H,2-6H2,1H3,(H2,11,14).
What are the key properties of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 213.28 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 66370776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).