(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

C18H29N3O3 — CID 75536127

IUPAC(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H29N3O3/c1-12(2)10-20-17-14(9-15(22)18(17)23)13-3-4-16(19-11-13)21-5-7-24-8-6-21/h3-4,11-12,14-15,17-18,20,22-23H,5-10H2,1-2H3/t14-,15-,17-,18-/m1/s1
InChIKeyIHZQSUCXANKLBD-JOCBIADPSA-N
MW335.45 g/mol
LogP0.74
Rot. Bonds5

About (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (PubChem CID 75536127) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
PubChem CID75536127
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H29N3O3/c1-12(2)10-20-17-14(9-15(22)18(17)23)13-3-4-16(19-11-13)21-5-7-24-8-6-21/h3-4,11-12,14-15,17-18,20,22-23H,5-10H2,1-2H3/t14-,15-,17-,18-/m1/s1
InChIKeyIHZQSUCXANKLBD-JOCBIADPSA-N
XLogP0.74
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (CID 75536127) is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is CC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1.
What is the InChIKey of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The InChIKey is IHZQSUCXANKLBD-JOCBIADPSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)10-20-17-14(9-15(22)18(17)23)13-3-4-16(19-11-13)21-5-7-24-8-6-21/h3-4,11-12,14-15,17-18,20,22-23H,5-10H2,1-2H3/t14-,15-,17-,18-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol has a molecular weight of 335.45 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75536127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).