methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate

C12H21NO3 — CID 103580669

IUPACmethyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate
SMILESCOC(=O)CCCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)3-2-7-13-10-6-8-16-12(10)9-4-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyRETALHUEUCRZDV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds6

About methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate

methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate (PubChem CID 103580669) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate
PubChem CID103580669
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate
SMILESCOC(=O)CCCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)3-2-7-13-10-6-8-16-12(10)9-4-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyRETALHUEUCRZDV-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-methyl-2-[3-(oxolan-2-yl)propylamino]pentanoate
CID 65163684
Methyl 4-methyl-2-[2-(oxolan-2-yl)ethylamino]pentanoate
CID 65163736
Methyl 3-methyl-2-[3-(oxolan-2-yl)propylamino]butanoate
CID 65163936
Methyl 3-methyl-2-[2-(oxolan-2-yl)ethylamino]butanoate
CID 65163988
Ethyl 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butanoate
CID 79928170
2-cyclopropyl-N-(3-methoxy-2-methylpropyl)oxolan-3-amine
CID 102672741
2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
CID 102672745
Methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate
CID 103242459
2-cyclopropyl-N-(3-methylbutyl)oxolan-3-amine
CID 103578739
2-cyclopropyl-N-heptyloxolan-3-amine
CID 103580652
Ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 103580661
2-cyclopropyl-N-(2-propan-2-yloxyethyl)oxolan-3-amine
CID 103580702

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate?
The IUPAC name of methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate (CID 103580669) is methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate is COC(=O)CCCNC1CCOC1C1CC1.
What is the InChIKey of methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate?
The InChIKey is RETALHUEUCRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-11(14)3-2-7-13-10-6-8-16-12(10)9-4-5-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate?
methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate is sourced from PubChem (CID 103580669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).