(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid

C9H16N4O5 — CID 104870476

IUPAC(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCC(CC(N)=O)NC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N4O5/c1-4(2-6(10)14)12-9(18)13-5(8(16)17)3-7(11)15/h4-5H,2-3H2,1H3,(H2,10,14)(H2,11,15)(H,16,17)(H2,12,13,18)/t4?,5-/m0/s1
InChIKeyFGPZKGFWJYRSKY-AKGZTFGVSA-N
MW260.25 g/mol
LogP-2.12
Rot. Bonds7

About (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 104870476) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID104870476
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCC(CC(N)=O)NC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N4O5/c1-4(2-6(10)14)12-9(18)13-5(8(16)17)3-7(11)15/h4-5H,2-3H2,1H3,(H2,10,14)(H2,11,15)(H,16,17)(H2,12,13,18)/t4?,5-/m0/s1
InChIKeyFGPZKGFWJYRSKY-AKGZTFGVSA-N
XLogP-2.12
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(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
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107827361
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
(2R)-4-amino-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107826844
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid (CID 104870476) is (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid is CC(CC(N)=O)NC(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is FGPZKGFWJYRSKY-AKGZTFGVSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-4(2-6(10)14)12-9(18)13-5(8(16)17)3-7(11)15/h4-5H,2-3H2,1H3,(H2,10,14)(H2,11,15)(H,16,17)(H2,12,13,18)/t4?,5-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 260.25 g/mol, XLogP of -2.12, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 104870476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).