2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate

C12H23NO3 — CID 130305252

IUPAC2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
SMILESCC(C)C(=O)NCCOC(=O)C(C)C(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)10(5)12(15)16-7-6-13-11(14)9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUHNSIXLOUIKHSF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate

2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate (PubChem CID 130305252) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
PubChem CID130305252
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
SMILESCC(C)C(=O)NCCOC(=O)C(C)C(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)10(5)12(15)16-7-6-13-11(14)9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUHNSIXLOUIKHSF-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
CID 158222142
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-(aminomethyl)-2-methylpropanamide
CID 88582106
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate?
The IUPAC name of 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate (CID 130305252) is 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate.
What is the SMILES notation for 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate?
The canonical SMILES for 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate is CC(C)C(=O)NCCOC(=O)C(C)C(C)C.
What is the InChIKey of 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate?
The InChIKey is UHNSIXLOUIKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)10(5)12(15)16-7-6-13-11(14)9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate?
2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate is sourced from PubChem (CID 130305252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).