(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid

C11H22N4O4 — CID 107826942

IUPAC(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(CCN(C)C)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(4-5-15(2)3)13-11(19)14-8(10(17)18)6-9(12)16/h7-8H,4-6H2,1-3H3,(H2,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1
InChIKeyZPENKLZWYSDMRP-BRFYHDHCSA-N
MW274.32 g/mol
LogP-1.05
Rot. Bonds8

About (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 107826942) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
PubChem CID107826942
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(CCN(C)C)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(4-5-15(2)3)13-11(19)14-8(10(17)18)6-9(12)16/h7-8H,4-6H2,1-3H3,(H2,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1
InChIKeyZPENKLZWYSDMRP-BRFYHDHCSA-N
XLogP-1.05
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(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
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107827361
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[[methyl(2-methylpropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826094
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid (CID 107826942) is (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid is CC(CCN(C)C)NC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is ZPENKLZWYSDMRP-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-7(4-5-15(2)3)13-11(19)14-8(10(17)18)6-9(12)16/h7-8H,4-6H2,1-3H3,(H2,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 274.32 g/mol, XLogP of -1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107826942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).