2-methyl-3-(2-methylpropylamino)butanoic acid

C9H19NO2 — CID 79391820

IUPAC2-methyl-3-(2-methylpropylamino)butanoic acid
SMILESCC(C)CNC(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)5-10-8(4)7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyLKHHATCZANSAJH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.34
Rot. Bonds5

About 2-methyl-3-(2-methylpropylamino)butanoic acid

2-methyl-3-(2-methylpropylamino)butanoic acid (PubChem CID 79391820) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylamino)butanoic acid
PubChem CID79391820
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-3-(2-methylpropylamino)butanoic acid
SMILESCC(C)CNC(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)5-10-8(4)7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyLKHHATCZANSAJH-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79397684
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoic acid
CID 79397406
3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
2-methyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 79397094
2-methyl-3-(propan-2-ylamino)butanoic acid
CID 79391925
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropylamino)butanoic acid?
The IUPAC name of 2-methyl-3-(2-methylpropylamino)butanoic acid (CID 79391820) is 2-methyl-3-(2-methylpropylamino)butanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpropylamino)butanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpropylamino)butanoic acid is CC(C)CNC(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methylpropylamino)butanoic acid?
The InChIKey is LKHHATCZANSAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)5-10-8(4)7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-3-(2-methylpropylamino)butanoic acid?
2-methyl-3-(2-methylpropylamino)butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropylamino)butanoic acid is sourced from PubChem (CID 79391820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).