3,4-dimethyl-2-(methylamino)pentanoic acid

C8H17NO2 — CID 15385160

IUPAC3,4-dimethyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(C)C(C)C
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)7(9-4)8(10)11/h5-7,9H,1-4H3,(H,10,11)
InChIKeyAPNZXFAZHQHILW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.95
Rot. Bonds4

About 3,4-dimethyl-2-(methylamino)pentanoic acid

3,4-dimethyl-2-(methylamino)pentanoic acid (PubChem CID 15385160) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3,4-dimethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name3,4-dimethyl-2-(methylamino)pentanoic acid
PubChem CID15385160
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3,4-dimethyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(C)C(C)C
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)7(9-4)8(10)11/h5-7,9H,1-4H3,(H,10,11)
InChIKeyAPNZXFAZHQHILW-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
CID 116914027
(2S,3S)-3-formyl-4-methyl-2-(methylamino)pentanoic acid
CID 87990992
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
(2R)-3,3-difluoro-2-(methylamino)propanoic acid
CID 150436276
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
(2S)-2-(deuteriomethylamino)-3-methylbutanoic acid;hydrochloride
CID 139935333

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 3,4-dimethyl-2-(methylamino)pentanoic acid (CID 15385160) is 3,4-dimethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 3,4-dimethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 3,4-dimethyl-2-(methylamino)pentanoic acid is CNC(C(=O)O)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-2-(methylamino)pentanoic acid?
The InChIKey is APNZXFAZHQHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)6(3)7(9-4)8(10)11/h5-7,9H,1-4H3,(H,10,11).
What are the key properties of 3,4-dimethyl-2-(methylamino)pentanoic acid?
3,4-dimethyl-2-(methylamino)pentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 15385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).