ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate

C13H25NO2 — CID 64661063

IUPACethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC(C)C)C1CC1
InChIInChI=1S/C13H25NO2/c1-5-12(13(15)16-6-2)14(9-10(3)4)11-7-8-11/h10-12H,5-9H2,1-4H3
InChIKeyGVXQSYOWBNHRMZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds7

About ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate

ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate (PubChem CID 64661063) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
PubChem CID64661063
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC(C)C)C1CC1
InChIInChI=1S/C13H25NO2/c1-5-12(13(15)16-6-2)14(9-10(3)4)11-7-8-11/h10-12H,5-9H2,1-4H3
InChIKeyGVXQSYOWBNHRMZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]butanoate
CID 64663364
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 76915624
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
2-[cyclopentyl(2-methylpropyl)amino]pentanoic acid
CID 83048898
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate?
The IUPAC name of ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate (CID 64661063) is ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate?
The canonical SMILES for ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate is CCOC(=O)C(CC)N(CC(C)C)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate?
The InChIKey is GVXQSYOWBNHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-12(13(15)16-6-2)14(9-10(3)4)11-7-8-11/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate?
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate is sourced from PubChem (CID 64661063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).