(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid

C9H16N4O5 — CID 63714734

IUPAC(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
SMILESCCNC(=O)CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N4O5/c1-2-11-7(15)4-12-9(18)13-5(8(16)17)3-6(10)14/h5H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)(H2,12,13,18)/t5-/m0/s1
InChIKeyWLLSPIHKEOTPLI-YFKPBYRVSA-N
MW260.25 g/mol
LogP-2.25
Rot. Bonds7

About (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid (PubChem CID 63714734) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
PubChem CID63714734
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
SMILESCCNC(=O)CNC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N4O5/c1-2-11-7(15)4-12-9(18)13-5(8(16)17)3-6(10)14/h5H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)(H2,12,13,18)/t5-/m0/s1
InChIKeyWLLSPIHKEOTPLI-YFKPBYRVSA-N
XLogP-2.25
TPSA150.62 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 ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoic acid
CID 24700920
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2S)-4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 87286441
4-amino-2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18235505
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307403
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
4-amino-2-(2-methylsulfanylethylcarbamoylamino)-4-oxobutanoic acid
CID 63957476
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 90954445
(2S)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid (CID 63714734) is (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid is CCNC(=O)CNC(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid?
The InChIKey is WLLSPIHKEOTPLI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-2-11-7(15)4-12-9(18)13-5(8(16)17)3-6(10)14/h5H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)(H2,12,13,18)/t5-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid has a molecular weight of 260.25 g/mol, XLogP of -2.25, 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-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 63714734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).