amino acetate;butane

C6H15NO2 — CID 90344227

IUPACamino acetate;butane
SMILESCC(=O)ON.CCCC
InChIInChI=1S/C4H10.C2H5NO2/c1-3-4-2;1-2(4)5-3/h3-4H2,1-2H3;3H2,1H3
InChIKeySNMLIIABAWFMGX-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.23
Rot. Bonds1

About amino acetate;butane

amino acetate;butane (PubChem CID 90344227) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is amino acetate;butane.

Molecular Properties

Compound Nameamino acetate;butane
PubChem CID90344227
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameamino acetate;butane
SMILESCC(=O)ON.CCCC
InChIInChI=1S/C4H10.C2H5NO2/c1-3-4-2;1-2(4)5-3/h3-4H2,1-2H3;3H2,1H3
InChIKeySNMLIIABAWFMGX-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino acetate;methanol
CID 174604339
magnesium;amino acetate;hydride
CID 173289469
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CID 87902922
sodium;amino acetate;hydride;hydrochloride
CID 174988291
CID 158105337
CID 158105337
acetic acid;amino acetate;benzene
CID 69130765
acetic acid;amino acetate;ethene
CID 174964224
CID 158128480
CID 158128480
CID 159328585
CID 159328585
propyl acetate;hydrate
CID 122690555
ethyl acetate;decakis(hexane)
CID 173035239
ethyl acetate;(hexane)
CID 173056685

Frequently Asked Questions

What is the IUPAC name of amino acetate;butane?
The IUPAC name of amino acetate;butane (CID 90344227) is amino acetate;butane.
What is the SMILES notation for amino acetate;butane?
The canonical SMILES for amino acetate;butane is CC(=O)ON.CCCC.
What is the InChIKey of amino acetate;butane?
The InChIKey is SNMLIIABAWFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H5NO2/c1-3-4-2;1-2(4)5-3/h3-4H2,1-2H3;3H2,1H3.
What are the key properties of amino acetate;butane?
amino acetate;butane has a molecular weight of 133.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino acetate;butane is sourced from PubChem (CID 90344227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).