2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid

C10H17NO3 — CID 103224634

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C10H17NO3/c1-14-6-9(10(12)13)11-5-7-2-3-8(11)4-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyDBRMBHYSWCFLHS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds4

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid

2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid (PubChem CID 103224634) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid
PubChem CID103224634
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C10H17NO3/c1-14-6-9(10(12)13)11-5-7-2-3-8(11)4-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyDBRMBHYSWCFLHS-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid
CID 64693579
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
CID 103224616
methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylbutanoate
CID 79407241
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
CID 62476618
2-(2,6-dimethylmorpholin-4-yl)-3-methoxypropanoic acid
CID 103224473
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
CID 103224901
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 103224529
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methoxypropanoic acid
CID 103224698
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
CID 81082367
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64712033

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid (CID 103224634) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid?
The InChIKey is DBRMBHYSWCFLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-6-9(10(12)13)11-5-7-2-3-8(11)4-7/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).