1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide

C13H24N2O4 — CID 66923806

IUPAC1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESC[C@H](CO)NC(=O)C1(C(=O)N[C@H](C)CO)CCCC1
InChIInChI=1S/C13H24N2O4/c1-9(7-16)14-11(18)13(5-3-4-6-13)12(19)15-10(2)8-17/h9-10,16-17H,3-8H2,1-2H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1
InChIKeyKJKHKRZOPKYPOC-NXEZZACHSA-N
MW272.34 g/mol
LogP-0.46
Rot. Bonds6

About 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide

1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66923806) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66923806
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESC[C@H](CO)NC(=O)C1(C(=O)N[C@H](C)CO)CCCC1
InChIInChI=1S/C13H24N2O4/c1-9(7-16)14-11(18)13(5-3-4-6-13)12(19)15-10(2)8-17/h9-10,16-17H,3-8H2,1-2H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1
InChIKeyKJKHKRZOPKYPOC-NXEZZACHSA-N
XLogP-0.46
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide (CID 66923806) is 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide is C[C@H](CO)NC(=O)C1(C(=O)N[C@H](C)CO)CCCC1.
What is the InChIKey of 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is KJKHKRZOPKYPOC-NXEZZACHSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(7-16)14-11(18)13(5-3-4-6-13)12(19)15-10(2)8-17/h9-10,16-17H,3-8H2,1-2H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide?
1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66923806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).