2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid

C11H20N2O4 — CID 103496290

IUPAC2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
SMILESCC(C)NC(=O)CNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6(2)13-9(14)5-12-10(15)7(3)8(4)11(16)17/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKNWRPZDSPGTCCF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.02
Rot. Bonds6

About 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid

2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid (PubChem CID 103496290) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
PubChem CID103496290
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
SMILESCC(C)NC(=O)CNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6(2)13-9(14)5-12-10(15)7(3)8(4)11(16)17/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKNWRPZDSPGTCCF-UHFFFAOYSA-N
XLogP-0.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid with MolForge

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Related Compounds

2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
CID 145330870
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499144
2,3-dimethyl-4-oxo-4-[(prop-2-enoylamino)methylamino]butanoic acid
CID 87157240
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid (CID 103496290) is 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid is CC(C)NC(=O)CNC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid?
The InChIKey is KNWRPZDSPGTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6(2)13-9(14)5-12-10(15)7(3)8(4)11(16)17/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid?
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid is sourced from PubChem (CID 103496290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).