2-cyclopropylethyl 4-(methylamino)butanoate

C10H19NO2 — CID 106202653

IUPAC2-cyclopropylethyl 4-(methylamino)butanoate
SMILESCNCCCC(=O)OCCC1CC1
InChIInChI=1S/C10H19NO2/c1-11-7-2-3-10(12)13-8-6-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyTYDBKTSTTWZOAV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds7

About 2-cyclopropylethyl 4-(methylamino)butanoate

2-cyclopropylethyl 4-(methylamino)butanoate (PubChem CID 106202653) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-cyclopropylethyl 4-(methylamino)butanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 4-(methylamino)butanoate
PubChem CID106202653
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-cyclopropylethyl 4-(methylamino)butanoate
SMILESCNCCCC(=O)OCCC1CC1
InChIInChI=1S/C10H19NO2/c1-11-7-2-3-10(12)13-8-6-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyTYDBKTSTTWZOAV-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
CID 106202501
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
bis[2-(methylamino)ethyl] hexanedioate;polane
CID 173355362
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
butyl 6-(methylamino)hexanoate
CID 14437323
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
butyl 4-cyclopentylbutanoate
CID 175866077
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
13-cyclopropyltridecyl pentanoate
CID 54121613
9-cyclopropylnonyl hexanoate
CID 21445837
5-cyclopropylpentyl tetradecanoate
CID 21445891
2-cyclopentylethyl butanoate
CID 142409115

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 4-(methylamino)butanoate?
The IUPAC name of 2-cyclopropylethyl 4-(methylamino)butanoate (CID 106202653) is 2-cyclopropylethyl 4-(methylamino)butanoate.
What is the SMILES notation for 2-cyclopropylethyl 4-(methylamino)butanoate?
The canonical SMILES for 2-cyclopropylethyl 4-(methylamino)butanoate is CNCCCC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 4-(methylamino)butanoate?
The InChIKey is TYDBKTSTTWZOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-7-2-3-10(12)13-8-6-9-4-5-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-cyclopropylethyl 4-(methylamino)butanoate?
2-cyclopropylethyl 4-(methylamino)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 4-(methylamino)butanoate is sourced from PubChem (CID 106202653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).