trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol

C13H19NO2 — CID 141079078

IUPACtrans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
SMILESN[C@H](Cc1ccccc1)C1[C@H](O)CC[C@H]1O
InChIInChI=1S/C13H19NO2/c14-10(8-9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10-13,15-16H,6-8,14H2/t10-,11-,12-/m1/s1
InChIKeyCWCTXHMKKKRLLE-IJLUTSLNSA-N
MW221.30 g/mol
LogP0.69
Rot. Bonds3

About trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol

trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol (PubChem CID 141079078) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
PubChem CID141079078
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nametrans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
SMILESN[C@H](Cc1ccccc1)C1[C@H](O)CC[C@H]1O
InChIInChI=1S/C13H19NO2/c14-10(8-9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10-13,15-16H,6-8,14H2/t10-,11-,12-/m1/s1
InChIKeyCWCTXHMKKKRLLE-IJLUTSLNSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-phenylethanamine
CID 50988646
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
(1R)-1-(oxetan-3-yl)-2-phenylethanamine
CID 162341038
1-(1-ethylpiperidin-4-yl)-2-phenylethanamine
CID 142846398
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide
CID 174483695
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol?
The IUPAC name of trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol (CID 141079078) is trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol is N[C@H](Cc1ccccc1)C1[C@H](O)CC[C@H]1O.
What is the InChIKey of trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol?
The InChIKey is CWCTXHMKKKRLLE-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H19NO2/c14-10(8-9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10-13,15-16H,6-8,14H2/t10-,11-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol?
trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol has a molecular weight of 221.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol is sourced from PubChem (CID 141079078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).