(3S)-4-methyl-3-(methylamino)pentanoic acid

C7H15NO2 — CID 90425684

IUPAC(3S)-4-methyl-3-(methylamino)pentanoic acid
SMILESCN[C@@H](CC(=O)O)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(8-3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyCXLPKVYJLITGLF-LURJTMIESA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds4

About (3S)-4-methyl-3-(methylamino)pentanoic acid

(3S)-4-methyl-3-(methylamino)pentanoic acid (PubChem CID 90425684) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S)-4-methyl-3-(methylamino)pentanoic acid.

Molecular Properties

Compound Name(3S)-4-methyl-3-(methylamino)pentanoic acid
PubChem CID90425684
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S)-4-methyl-3-(methylamino)pentanoic acid
SMILESCN[C@@H](CC(=O)O)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(8-3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyCXLPKVYJLITGLF-LURJTMIESA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
CID 87833179
3-acetamido-4-methylpentanoic acid
CID 22460001
(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
3-methyl-4-(methylamino)heptanoic acid
CID 116953418
3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
3-(dimethylaminocarbamoylamino)-4-methylpentanoic acid
CID 83019637
(3S)-3-[[(R)-tert-butylsulfinyl]amino]-4-methylpentanoic acid
CID 11031847
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
ethene;2-(methylamino)butanedioic acid
CID 174781740
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131
(3S)-3-[[(2S)-2-[(2-acetamido-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 155020656
(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 134579845

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-(methylamino)pentanoic acid?
The IUPAC name of (3S)-4-methyl-3-(methylamino)pentanoic acid (CID 90425684) is (3S)-4-methyl-3-(methylamino)pentanoic acid.
What is the SMILES notation for (3S)-4-methyl-3-(methylamino)pentanoic acid?
The canonical SMILES for (3S)-4-methyl-3-(methylamino)pentanoic acid is CN[C@@H](CC(=O)O)C(C)C.
What is the InChIKey of (3S)-4-methyl-3-(methylamino)pentanoic acid?
The InChIKey is CXLPKVYJLITGLF-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)6(8-3)4-7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-4-methyl-3-(methylamino)pentanoic acid?
(3S)-4-methyl-3-(methylamino)pentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-(methylamino)pentanoic acid is sourced from PubChem (CID 90425684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).