(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate

C14H27NO4 — CID 174484804

IUPAC(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CC1CCCC1)C(O)CO
InChIInChI=1S/C14H27NO4/c1-14(2,3)15-13(18)19-12(11(17)9-16)8-10-6-4-5-7-10/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyRYWOOMNPONQFGK-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.81
Rot. Bonds5

About (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate

(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate (PubChem CID 174484804) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
PubChem CID174484804
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CC1CCCC1)C(O)CO
InChIInChI=1S/C14H27NO4/c1-14(2,3)15-13(18)19-12(11(17)9-16)8-10-6-4-5-7-10/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyRYWOOMNPONQFGK-UHFFFAOYSA-N
XLogP1.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate (CID 174484804) is (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CC1CCCC1)C(O)CO.
What is the InChIKey of (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
The InChIKey is RYWOOMNPONQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-14(2,3)15-13(18)19-12(11(17)9-16)8-10-6-4-5-7-10/h10-12,16-17H,4-9H2,1-3H3,(H,15,18).
What are the key properties of (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate?
(1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate has a molecular weight of 273.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174484804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).