2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

C12H20N2O3 — CID 66372148

IUPAC2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESO=C(O)C(CN1CC2CCC(C1)O2)NC1CC1
InChIInChI=1S/C12H20N2O3/c15-12(16)11(13-8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-11,13H,1-7H2,(H,15,16)
InChIKeyMCARLUXCCPYYPE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.05
Rot. Bonds5

About 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (PubChem CID 66372148) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
PubChem CID66372148
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESO=C(O)C(CN1CC2CCC(C1)O2)NC1CC1
InChIInChI=1S/C12H20N2O3/c15-12(16)11(13-8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-11,13H,1-7H2,(H,15,16)
InChIKeyMCARLUXCCPYYPE-UHFFFAOYSA-N
XLogP0.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.05
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
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 63165297
2-(cyclopropylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 55159716
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66370776
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)propanoic acid
CID 79935240
2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoic acid
CID 114083679
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
CID 114279502
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoic acid
CID 66369794
4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 55142771

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (CID 66372148) is 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is O=C(O)C(CN1CC2CCC(C1)O2)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The InChIKey is MCARLUXCCPYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(16)11(13-8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-11,13H,1-7H2,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is sourced from PubChem (CID 66372148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).