4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

C10H18N2O4 — CID 106275580

IUPAC4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,9(16)11-3)6-12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKYJNQXCTXLLBDO-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds6

About 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (PubChem CID 106275580) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
PubChem CID106275580
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,9(16)11-3)6-12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKYJNQXCTXLLBDO-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
CID 114167176
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106275578
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanedioic acid
CID 106279376
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276956
3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide
CID 106276952
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
CID 106279378
N,2,2-trimethyl-3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanamide
CID 106276909

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (CID 106275580) is 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is CNC(=O)C(C)(C)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The InChIKey is KYJNQXCTXLLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,9(16)11-3)6-12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 106275580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).