3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid

C12H23NO3 — CID 82323658

IUPAC3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCCC(C)N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(5)13(11(14)8(2)3)7-9(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyWYXKBIXKIOIEOX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.99
Rot. Bonds6

About 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid

3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323658) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID82323658
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCCC(C)N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(5)13(11(14)8(2)3)7-9(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyWYXKBIXKIOIEOX-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
3-(N-methylacetamido)propanoic acid
CID 541580
1-Acetylazetidine-3-carboxylic acid
CID 13374357
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
3-(Diethylamino)-2-methylpropanoic acid
CID 43538708
3-(Butylacetylamino)propionic acid
CID 189750
2,2-Dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium
CID 154708184
3-[Tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60827462
3-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60830207
3-[2,2,2-trifluoro-N-(propan-2-yl)acetamido]propanoic acid
CID 61000336
2-Methyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 61600134
3-[Ethyl(3,3,3-trifluoropropanoyl)amino]-2-methylpropanoic acid
CID 62826468

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 82323658) is 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid is CCC(C)N(CC(C)C(=O)O)C(=O)C(C)C.
What is the InChIKey of 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is WYXKBIXKIOIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-10(5)13(11(14)8(2)3)7-9(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).