(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O — CID 163395887

IUPAC(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O/c15-13-10-7-6-9(8-10)12(13)14(17)16-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8,15H2,(H,16,17)/t9-,10+,12+,13-/m1/s1
InChIKeyYODFWDICXHTJTN-RSLMWUCJSA-N
MW230.31 g/mol
LogP2.00
Rot. Bonds2

About (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 163395887) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID163395887
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O/c15-13-10-7-6-9(8-10)12(13)14(17)16-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8,15H2,(H,16,17)/t9-,10+,12+,13-/m1/s1
InChIKeyYODFWDICXHTJTN-RSLMWUCJSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide (CID 163395887) is (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide is N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YODFWDICXHTJTN-RSLMWUCJSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13-10-7-6-9(8-10)12(13)14(17)16-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8,15H2,(H,16,17)/t9-,10+,12+,13-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-amino-N-phenylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 163395887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).