methyl 4,4-dimethyl-2-(methylamino)pentanoate

C9H19NO2 — CID 62949491

IUPACmethyl 4,4-dimethyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)(C)C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-9(2,3)6-7(10-4)8(11)12-5/h7,10H,6H2,1-5H3
InChIKeyHCOKWQCJYCRRAS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.18
Rot. Bonds3

About methyl 4,4-dimethyl-2-(methylamino)pentanoate

methyl 4,4-dimethyl-2-(methylamino)pentanoate (PubChem CID 62949491) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 4,4-dimethyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-2-(methylamino)pentanoate
PubChem CID62949491
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 4,4-dimethyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)(C)C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-9(2,3)6-7(10-4)8(11)12-5/h7,10H,6H2,1-5H3
InChIKeyHCOKWQCJYCRRAS-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
ethane;methyl 3-amino-2-(methylamino)propanoate
CID 142001160
methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
CID 62950242
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
N-(cyanomethyl)-4,4-dimethyl-2-(methylamino)pentanamide
CID 163446336
methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 129050762
CID 88890961
CID 88890961

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4,4-dimethyl-2-(methylamino)pentanoate (CID 62949491) is methyl 4,4-dimethyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4,4-dimethyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4,4-dimethyl-2-(methylamino)pentanoate is CNC(CC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 4,4-dimethyl-2-(methylamino)pentanoate?
The InChIKey is HCOKWQCJYCRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)6-7(10-4)8(11)12-5/h7,10H,6H2,1-5H3.
What are the key properties of methyl 4,4-dimethyl-2-(methylamino)pentanoate?
methyl 4,4-dimethyl-2-(methylamino)pentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-2-(methylamino)pentanoate is sourced from PubChem (CID 62949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).