2-methylpropyl 2-amino-2-cyclopropylpropanoate

C10H19NO2 — CID 61277456

IUPAC2-methylpropyl 2-amino-2-cyclopropylpropanoate
SMILESCC(C)COC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(2)6-13-9(12)10(3,11)8-4-5-8/h7-8H,4-6,11H2,1-3H3
InChIKeyVXKBMLWBNWJDCO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds4

About 2-methylpropyl 2-amino-2-cyclopropylpropanoate

2-methylpropyl 2-amino-2-cyclopropylpropanoate (PubChem CID 61277456) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-2-cyclopropylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-2-cyclopropylpropanoate
PubChem CID61277456
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methylpropyl 2-amino-2-cyclopropylpropanoate
SMILESCC(C)COC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(2)6-13-9(12)10(3,11)8-4-5-8/h7-8H,4-6,11H2,1-3H3
InChIKeyVXKBMLWBNWJDCO-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-2-cyclopropylpropanoate?
The IUPAC name of 2-methylpropyl 2-amino-2-cyclopropylpropanoate (CID 61277456) is 2-methylpropyl 2-amino-2-cyclopropylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-amino-2-cyclopropylpropanoate?
The canonical SMILES for 2-methylpropyl 2-amino-2-cyclopropylpropanoate is CC(C)COC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-methylpropyl 2-amino-2-cyclopropylpropanoate?
The InChIKey is VXKBMLWBNWJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-13-9(12)10(3,11)8-4-5-8/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 2-methylpropyl 2-amino-2-cyclopropylpropanoate?
2-methylpropyl 2-amino-2-cyclopropylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-2-cyclopropylpropanoate is sourced from PubChem (CID 61277456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).