(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol

C16H25NO2 — CID 71693870

IUPAC(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol
SMILESCc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)9-17-15-13(8-14(18)16(15)19)12-6-4-5-11(3)7-12/h4-7,10,13-19H,8-9H2,1-3H3/t13-,14-,15-,16-/m1/s1
InChIKeyGLCTWXVSHRTINF-KLHDSHLOSA-N
MW263.38 g/mol
LogP1.82
Rot. Bonds4

About (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol

(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol (PubChem CID 71693870) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol
PubChem CID71693870
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol
SMILESCc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)9-17-15-13(8-14(18)16(15)19)12-6-4-5-11(3)7-12/h4-7,10,13-19H,8-9H2,1-3H3/t13-,14-,15-,16-/m1/s1
InChIKeyGLCTWXVSHRTINF-KLHDSHLOSA-N
XLogP1.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol (CID 71693870) is (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol is Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCC(C)C)c1.
What is the InChIKey of (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol?
The InChIKey is GLCTWXVSHRTINF-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)9-17-15-13(8-14(18)16(15)19)12-6-4-5-11(3)7-12/h4-7,10,13-19H,8-9H2,1-3H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol has a molecular weight of 263.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 71693870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).