2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid

C15H28N2O3 — CID 63207711

IUPAC2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-12(2)15(3,14(19)20)11-13(18)16(4)9-10-17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyMNSPAEGQGANLKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds7

About 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 63207711) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID63207711
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-12(2)15(3,14(19)20)11-13(18)16(4)9-10-17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyMNSPAEGQGANLKC-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642
4-[2-(azepan-1-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61241356
4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63633140
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
5-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 82851299
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214384
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid (CID 63207711) is 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)N(C)CCN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is MNSPAEGQGANLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)15(3,14(19)20)11-13(18)16(4)9-10-17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 63207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).