(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide

C10H18N2O — CID 89194525

IUPAC(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNC(=O)[C@@H]1C2CCC(C2)[C@@H]1N
InChIInChI=1S/C10H18N2O/c1-2-12-10(13)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKeyKRHXVZTVHYQHGV-YNTFGVKOSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds2

About (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide

(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 89194525) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID89194525
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNC(=O)[C@@H]1C2CCC(C2)[C@@H]1N
InChIInChI=1S/C10H18N2O/c1-2-12-10(13)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKeyKRHXVZTVHYQHGV-YNTFGVKOSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide (CID 89194525) is (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide is CCNC(=O)[C@@H]1C2CCC(C2)[C@@H]1N.
What is the InChIKey of (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KRHXVZTVHYQHGV-YNTFGVKOSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-12-10(13)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3,(H,12,13)/t6?,7?,8-,9+/m1/s1.
What are the key properties of (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 89194525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).