propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate

C10H19NO2 — CID 20747226

IUPACpropan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate
SMILESCC(C)NC1(C(=O)OC(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)11-10(5-6-10)9(12)13-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyPQGYTOMOYHCVGC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds4

About propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate

propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate (PubChem CID 20747226) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate
PubChem CID20747226
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate
SMILESCC(C)NC1(C(=O)OC(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)11-10(5-6-10)9(12)13-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyPQGYTOMOYHCVGC-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate (CID 20747226) is propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate is CC(C)NC1(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate?
The InChIKey is PQGYTOMOYHCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)11-10(5-6-10)9(12)13-8(3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate?
propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(propan-2-ylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 20747226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).