2-cyclopropylethyl 3-(propan-2-ylamino)propanoate

C11H21NO2 — CID 106202501

IUPAC2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
SMILESCC(C)NCCC(=O)OCCC1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-7-5-11(13)14-8-6-10-3-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyQUISUXQVGPDWBQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds7

About 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate

2-cyclopropylethyl 3-(propan-2-ylamino)propanoate (PubChem CID 106202501) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
PubChem CID106202501
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
SMILESCC(C)NCCC(=O)OCCC1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-7-5-11(13)14-8-6-10-3-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyQUISUXQVGPDWBQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-cyclopropylethyl 4-(methylamino)butanoate
CID 106202653
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
2-cyclopentylethyl butanoate
CID 142409115
bis(2-cyclopentylethyl) propanedioate
CID 67140627
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
2-cyclopentylethyl methyl carbonate
CID 66771150
propyl 3-cyclopentylpropanoate
CID 43389546
(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate
CID 61279656
4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate?
The IUPAC name of 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate (CID 106202501) is 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate.
What is the SMILES notation for 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate?
The canonical SMILES for 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate is CC(C)NCCC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate?
The InChIKey is QUISUXQVGPDWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12-7-5-11(13)14-8-6-10-3-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate?
2-cyclopropylethyl 3-(propan-2-ylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 106202501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).