(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid

C10H18N4O5 — CID 55230557

IUPAC(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
SMILESCC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N(C)C
InChIInChI=1S/C10H18N4O5/c1-5(8(16)14(2)3)12-10(19)13-6(9(17)18)4-7(11)15/h5-6H,4H2,1-3H3,(H2,11,15)(H,17,18)(H2,12,13,19)/t5?,6-/m0/s1
InChIKeyUSDSCGMRNDTARL-GDVGLLTNSA-N
MW274.28 g/mol
LogP-1.91
Rot. Bonds6

About (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid (PubChem CID 55230557) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
PubChem CID55230557
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
SMILESCC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N(C)C
InChIInChI=1S/C10H18N4O5/c1-5(8(16)14(2)3)12-10(19)13-6(9(17)18)4-7(11)15/h5-6H,4H2,1-3H3,(H2,11,15)(H,17,18)(H2,12,13,19)/t5?,6-/m0/s1
InChIKeyUSDSCGMRNDTARL-GDVGLLTNSA-N
XLogP-1.91
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
(2S)-N,N,2-trimethylbutanediamide
CID 89208905
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107827361
(2R)-4-amino-2-(hexan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107827459
(2R)-4-amino-4-oxo-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 107829038

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid (CID 55230557) is (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid is CC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N(C)C.
What is the InChIKey of (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The InChIKey is USDSCGMRNDTARL-GDVGLLTNSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-5(8(16)14(2)3)12-10(19)13-6(9(17)18)4-7(11)15/h5-6H,4H2,1-3H3,(H2,11,15)(H,17,18)(H2,12,13,19)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid has a molecular weight of 274.28 g/mol, XLogP of -1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 55230557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).