2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid

C14H26N2O4 — CID 60941827

IUPAC2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-8-15-12(18)10(4)16-11(17)9-14(6-2,7-3)13(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyJKVUAWLWITZSDA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.30
Rot. Bonds9

About 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid

2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid (PubChem CID 60941827) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
PubChem CID60941827
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-8-15-12(18)10(4)16-11(17)9-14(6-2,7-3)13(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyJKVUAWLWITZSDA-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2,2-diethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759072
2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
CID 60941337
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
4-[[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]sulfanylmethyl]benzoic acid
CID 45305353
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid?
The IUPAC name of 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid (CID 60941827) is 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid.
What is the SMILES notation for 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid?
The canonical SMILES for 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid is CCCNC(=O)C(C)NC(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid?
The InChIKey is JKVUAWLWITZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-8-15-12(18)10(4)16-11(17)9-14(6-2,7-3)13(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid?
2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid is sourced from PubChem (CID 60941827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).