3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid

C11H21NO3 — CID 82329289

IUPAC3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
SMILESCC(=O)C(C)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)7-12(6-5-11(14)15)9(3)10(4)13/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyBJBDAXOWNXOKFT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds7

About 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid

3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid (PubChem CID 82329289) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
PubChem CID82329289
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
SMILESCC(=O)C(C)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)7-12(6-5-11(14)15)9(3)10(4)13/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyBJBDAXOWNXOKFT-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329391
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337
2-methyl-3-[3-methylbutyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329403
3-[3-butoxypropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329308
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
3-[(2-chlorophenyl)methyl-(3-oxobutan-2-yl)amino]propanoic acid
CID 82329344
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid (CID 82329289) is 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid is CC(=O)C(C)N(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid?
The InChIKey is BJBDAXOWNXOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)7-12(6-5-11(14)15)9(3)10(4)13/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid?
3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 82329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).