tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane

C13H27NO4 — CID 176970669

IUPACtert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
SMILESC1CC1.CC(C)(C)OC(=O)NC(CO)CCCO
InChIInChI=1S/C10H21NO4.C3H6/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12;1-2-3-1/h8,12-13H,4-7H2,1-3H3,(H,11,14);1-3H2
InChIKeyPBVYNZGAMWXEAJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane

tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane (PubChem CID 176970669) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane.

Molecular Properties

Compound Nametert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
PubChem CID176970669
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
SMILESC1CC1.CC(C)(C)OC(=O)NC(CO)CCCO
InChIInChI=1S/C10H21NO4.C3H6/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12;1-2-3-1/h8,12-13H,4-7H2,1-3H3,(H,11,14);1-3H2
InChIKeyPBVYNZGAMWXEAJ-UHFFFAOYSA-N
XLogP1.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane?
The IUPAC name of tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane (CID 176970669) is tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane.
What is the SMILES notation for tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane?
The canonical SMILES for tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane is C1CC1.CC(C)(C)OC(=O)NC(CO)CCCO.
What is the InChIKey of tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane?
The InChIKey is PBVYNZGAMWXEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.C3H6/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12;1-2-3-1/h8,12-13H,4-7H2,1-3H3,(H,11,14);1-3H2.
What are the key properties of tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane?
tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane has a molecular weight of 261.36 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 tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane is sourced from PubChem (CID 176970669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).