ethyl 2-(4-propan-2-yloxybutylamino)acetate

C11H23NO3 — CID 107095428

IUPACethyl 2-(4-propan-2-yloxybutylamino)acetate
SMILESCCOC(=O)CNCCCCOC(C)C
InChIInChI=1S/C11H23NO3/c1-4-14-11(13)9-12-7-5-6-8-15-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyAGTGWSWCOAEKSS-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds9

About ethyl 2-(4-propan-2-yloxybutylamino)acetate

ethyl 2-(4-propan-2-yloxybutylamino)acetate (PubChem CID 107095428) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-yloxybutylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-yloxybutylamino)acetate
PubChem CID107095428
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-(4-propan-2-yloxybutylamino)acetate
SMILESCCOC(=O)CNCCCCOC(C)C
InChIInChI=1S/C11H23NO3/c1-4-14-11(13)9-12-7-5-6-8-15-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyAGTGWSWCOAEKSS-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
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

ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
ethyl 4-propan-2-yloxybutanoate
CID 59323565
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethane;ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399433
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
ethyl 2-(2-chloroethylamino)acetate
CID 55302202
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-yloxybutylamino)acetate?
The IUPAC name of ethyl 2-(4-propan-2-yloxybutylamino)acetate (CID 107095428) is ethyl 2-(4-propan-2-yloxybutylamino)acetate.
What is the SMILES notation for ethyl 2-(4-propan-2-yloxybutylamino)acetate?
The canonical SMILES for ethyl 2-(4-propan-2-yloxybutylamino)acetate is CCOC(=O)CNCCCCOC(C)C.
What is the InChIKey of ethyl 2-(4-propan-2-yloxybutylamino)acetate?
The InChIKey is AGTGWSWCOAEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-14-11(13)9-12-7-5-6-8-15-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(4-propan-2-yloxybutylamino)acetate?
ethyl 2-(4-propan-2-yloxybutylamino)acetate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-yloxybutylamino)acetate is sourced from PubChem (CID 107095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).