(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol

C17H32N2O — CID 124853032

IUPAC(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@]([C@@H](CN)CO)(N1CCCC1)C2
InChIInChI=1S/C17H32N2O/c1-15(2)13-6-7-16(15,3)17(10-13,14(11-18)12-20)19-8-4-5-9-19/h13-14,20H,4-12,18H2,1-3H3/t13-,14-,16+,17-/m0/s1
InChIKeyHBUPWEWXZGYSEF-DIECFANBSA-N
MW280.46 g/mol
LogP2.23
Rot. Bonds4

About (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol

(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol (PubChem CID 124853032) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
PubChem CID124853032
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@]([C@@H](CN)CO)(N1CCCC1)C2
InChIInChI=1S/C17H32N2O/c1-15(2)13-6-7-16(15,3)17(10-13,14(11-18)12-20)19-8-4-5-9-19/h13-14,20H,4-12,18H2,1-3H3/t13-,14-,16+,17-/m0/s1
InChIKeyHBUPWEWXZGYSEF-DIECFANBSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-amino-2-[(1S,2R,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370284
(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129374759
(2R)-3-amino-2-[(1R,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370289
ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
CID 102538577
3-amino-2-(1-piperidin-1-ylcyclopentyl)propan-1-ol
CID 102538547
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 98288766
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
CID 21014915
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
ethyl (2R)-3-amino-2-[(1R,2R,4S)-2-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 129374762

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The IUPAC name of (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol (CID 124853032) is (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol.
What is the SMILES notation for (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The canonical SMILES for (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol is CC1(C)[C@H]2CC[C@@]1(C)[C@]([C@@H](CN)CO)(N1CCCC1)C2.
What is the InChIKey of (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
The InChIKey is HBUPWEWXZGYSEF-DIECFANBSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)13-6-7-16(15,3)17(10-13,14(11-18)12-20)19-8-4-5-9-19/h13-14,20H,4-12,18H2,1-3H3/t13-,14-,16+,17-/m0/s1.
What are the key properties of (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol?
(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol is sourced from PubChem (CID 124853032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).