(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

C9H15NO2 — CID 66674234

IUPAC(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O
InChIInChI=1S/C9H15NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h5-8,10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m0/s1
InChIKeyRBVZKYGYDDDUHG-OSMVPFSASA-N
MW169.22 g/mol
LogP0.71
Rot. Bonds2

About (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 66674234) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID66674234
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O
InChIInChI=1S/C9H15NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h5-8,10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m0/s1
InChIKeyRBVZKYGYDDDUHG-OSMVPFSASA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 66674234) is (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is CN[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O.
What is the InChIKey of (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RBVZKYGYDDDUHG-OSMVPFSASA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-8-6-3-2-5(4-6)7(8)9(11)12/h5-8,10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m0/s1.
What are the key properties of (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 66674234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).