2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate

C14H29NO4 — CID 159728832

IUPAC2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN.CCCCOC(=O)C(C)C
InChIInChI=1S/C8H16O2.C6H13NO2/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h7H,4-6H2,1-3H3;5H,3-4,7H2,1-2H3
InChIKeyNAZBWZNYVJSZSU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.13
Rot. Bonds7

About 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate

2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate (PubChem CID 159728832) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate.

Molecular Properties

Compound Name2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
PubChem CID159728832
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN.CCCCOC(=O)C(C)C
InChIInChI=1S/C8H16O2.C6H13NO2/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h7H,4-6H2,1-3H3;5H,3-4,7H2,1-2H3
InChIKeyNAZBWZNYVJSZSU-UHFFFAOYSA-N
XLogP2.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylpropanoate;2-methylpropane
CID 157176975
3-aminopropyl 2-methylpropanoate
CID 59078098
8-aminooctyl 2-methylpropanoate
CID 88886116
butyl 4-amino-2-hydroxybutanoate
CID 107837486
butyl 3-amino-2-iodopropanoate
CID 166968304
butyl 2-methylpropanoate;2,2-dimethylhexanoic acid
CID 158280727
dibutyl 2,3-di(propan-2-yl)but-2-enedioate
CID 123256400
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
butyl 3-hydroxy-2-methylpropanoate
CID 14114440
2-hexoxyethyl 2-methylpropanoate
CID 88618751
butyl (2S)-2-(methoxycarbonylamino)-3-methylbutanoate
CID 131967474
butyl 2-acetyl-3-oxobutanoate
CID 4571459

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate?
The IUPAC name of 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate (CID 159728832) is 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate.
What is the SMILES notation for 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate?
The canonical SMILES for 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate is CC(C)C(=O)OCCN.CCCCOC(=O)C(C)C.
What is the InChIKey of 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate?
The InChIKey is NAZBWZNYVJSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H13NO2/c1-4-5-6-10-8(9)7(2)3;1-5(2)6(8)9-4-3-7/h7H,4-6H2,1-3H3;5H,3-4,7H2,1-2H3.
What are the key properties of 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate?
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate is sourced from PubChem (CID 159728832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).