methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate

C11H21NO2 — CID 140629496

IUPACmethyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(CC1CC1)NC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-10(6-9-4-5-9)7-11(13)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeyFLZCMHNQNMCSRE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds6

About methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate

methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate (PubChem CID 140629496) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate
PubChem CID140629496
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(CC1CC1)NC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-10(6-9-4-5-9)7-11(13)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeyFLZCMHNQNMCSRE-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate (CID 140629496) is methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate is COC(=O)CC(CC1CC1)NC(C)C.
What is the InChIKey of methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate?
The InChIKey is FLZCMHNQNMCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-10(6-9-4-5-9)7-11(13)14-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate?
methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate is sourced from PubChem (CID 140629496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).