2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 62821960

IUPAC2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCCC(C)NC(=O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-8(2)12-9(14)7-13(5)11(3,4)10(15)16/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeySPIYIHZSBYNJRG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds6

About 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62821960) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID62821960
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCCC(C)NC(=O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-8(2)12-9(14)7-13(5)11(3,4)10(15)16/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeySPIYIHZSBYNJRG-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62820250
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
CID 62819775
N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide
CID 22252017
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821797
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 62821960) is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CCC(C)NC(=O)CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is SPIYIHZSBYNJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-8(2)12-9(14)7-13(5)11(3,4)10(15)16/h8H,6-7H2,1-5H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).