(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate

C11H19NO5 — CID 102112461

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
SMILESCCCCNCCC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H19NO5/c1-2-3-5-12-6-4-10(13)15-7-9-8-16-11(14)17-9/h9,12H,2-8H2,1H3
InChIKeyMMOPZUMUICUYRE-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.84
Rot. Bonds8

About (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate

(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate (PubChem CID 102112461) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
PubChem CID102112461
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
SMILESCCCCNCCC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H19NO5/c1-2-3-5-12-6-4-10(13)15-7-9-8-16-11(14)17-9/h9,12H,2-8H2,1H3
InChIKeyMMOPZUMUICUYRE-UHFFFAOYSA-N
XLogP0.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] (E)-icos-10-enedioate
CID 132917919
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
(2-oxo-1,3-dioxolan-4-yl)methyl N,N-dioctylcarbamate
CID 66882543
1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
sodium;oxiran-2-ylmethyl 2-ethylhexanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-ethylhexanoate;iodide
CID 158205489

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate (CID 102112461) is (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate is CCCCNCCC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate?
The InChIKey is MMOPZUMUICUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-3-5-12-6-4-10(13)15-7-9-8-16-11(14)17-9/h9,12H,2-8H2,1H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate?
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate has a molecular weight of 245.27 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate is sourced from PubChem (CID 102112461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).