propyl 2-methyl-2-(methylamino)butanoate

C9H19NO2 — CID 88573516

IUPACpropyl 2-methyl-2-(methylamino)butanoate
SMILESCCCOC(=O)C(C)(CC)NC
InChIInChI=1S/C9H19NO2/c1-5-7-12-8(11)9(3,6-2)10-4/h10H,5-7H2,1-4H3
InChIKeyYVFNHBGTIYSGFH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds5

About propyl 2-methyl-2-(methylamino)butanoate

propyl 2-methyl-2-(methylamino)butanoate (PubChem CID 88573516) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propyl 2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namepropyl 2-methyl-2-(methylamino)butanoate
PubChem CID88573516
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropyl 2-methyl-2-(methylamino)butanoate
SMILESCCCOC(=O)C(C)(CC)NC
InChIInChI=1S/C9H19NO2/c1-5-7-12-8(11)9(3,6-2)10-4/h10H,5-7H2,1-4H3
InChIKeyYVFNHBGTIYSGFH-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
propyl 2,2-difluorobutanoate
CID 88537819
2-methyl-2-(methylamino)-3-(2-propoxyethoxy)propanamide
CID 63684948
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
propyl 2,2-diethyl-3-oxobutanoate
CID 20810011
dipropyl 2-ethyl-2-methylbutanedioate
CID 57222519
hexyl 2-methyl-2-(methylamino)propanoate
CID 62821057
azane;propyl 2,2-dipropylpentanoate
CID 87112478
propyl 2,2-dimethylhexadecanoate
CID 57107993
ethane;propyl N-methylcarbamate
CID 142560404
(3,3-difluoro-2-methyl-4-oxo-4-propoxybutan-2-yl) 2,2-dimethylbutanoate
CID 118257805

Frequently Asked Questions

What is the IUPAC name of propyl 2-methyl-2-(methylamino)butanoate?
The IUPAC name of propyl 2-methyl-2-(methylamino)butanoate (CID 88573516) is propyl 2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for propyl 2-methyl-2-(methylamino)butanoate?
The canonical SMILES for propyl 2-methyl-2-(methylamino)butanoate is CCCOC(=O)C(C)(CC)NC.
What is the InChIKey of propyl 2-methyl-2-(methylamino)butanoate?
The InChIKey is YVFNHBGTIYSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-12-8(11)9(3,6-2)10-4/h10H,5-7H2,1-4H3.
What are the key properties of propyl 2-methyl-2-(methylamino)butanoate?
propyl 2-methyl-2-(methylamino)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 88573516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).