(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

C10H17NO2 — CID 55268536

IUPAC(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@H]2CC[C@]1(C(=O)O)C(N)C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7H,3-5,11H2,1-2H3,(H,12,13)/t6-,7?,10+/m0/s1
InChIKeyZZQGOSZYVHONLV-JXIGJQSUSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds1

About (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 55268536) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID55268536
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@H]2CC[C@]1(C(=O)O)C(N)C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7H,3-5,11H2,1-2H3,(H,12,13)/t6-,7?,10+/m0/s1
InChIKeyZZQGOSZYVHONLV-JXIGJQSUSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 55268536) is (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC1(C)[C@H]2CC[C@]1(C(=O)O)C(N)C2.
What is the InChIKey of (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is ZZQGOSZYVHONLV-JXIGJQSUSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6-7H,3-5,11H2,1-2H3,(H,12,13)/t6-,7?,10+/m0/s1.
What are the key properties of (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 55268536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).