4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid

C11H20N4O5 — CID 103112595

IUPAC4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-4-15(3)9(17)6(2)13-11(20)14-7(10(18)19)5-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,18,19)(H2,13,14,20)
InChIKeyNQRDQNQJRBEHGK-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.52
Rot. Bonds7

About 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid

4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid (PubChem CID 103112595) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
PubChem CID103112595
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-4-15(3)9(17)6(2)13-11(20)14-7(10(18)19)5-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,18,19)(H2,13,14,20)
InChIKeyNQRDQNQJRBEHGK-UHFFFAOYSA-N
XLogP-1.52
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
CID 103112573
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103112638
(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-[(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]-3,3-dimethylbutanoic acid
CID 103112692
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid (CID 103112595) is 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid is CCN(C)C(=O)C(C)NC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
The InChIKey is NQRDQNQJRBEHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-4-15(3)9(17)6(2)13-11(20)14-7(10(18)19)5-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,18,19)(H2,13,14,20).
What are the key properties of 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid?
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 103112595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).