2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid

C15H30N2O3 — CID 82327324

IUPAC2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCN(CC(=O)NCC(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)6-7-17(9-13(5)15(19)20)10-14(18)16-8-12(3)4/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyGSUXBSWXPFIDSC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.83
Rot. Bonds10

About 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid

2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82327324) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82327324
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCN(CC(=O)NCC(C)C)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)6-7-17(9-13(5)15(19)20)10-14(18)16-8-12(3)4/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyGSUXBSWXPFIDSC-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
3-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62852413
3-[[2-(butylamino)-2-oxoethyl]-prop-2-enylamino]-2-methylpropanoic acid
CID 82327249
2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
CID 121265189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid (CID 82327324) is 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid is CC(C)CCN(CC(=O)NCC(C)C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is GSUXBSWXPFIDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)6-7-17(9-13(5)15(19)20)10-14(18)16-8-12(3)4/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid?
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82327324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).