(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid

C11H20N4O5 — CID 90954445

IUPAC(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
SMILESCCNC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-2-14-9(17)4-3-6(12)10(18)15-7(11(19)20)5-8(13)16/h6-7H,2-5,12H2,1H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t6-,7-/m0/s1
InChIKeyBBEIXXUYCIRQEO-BQBZGAKWSA-N
MW288.30 g/mol
LogP-2.33
Rot. Bonds9

About (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid (PubChem CID 90954445) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
PubChem CID90954445
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
SMILESCCNC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-2-14-9(17)4-3-6(12)10(18)15-7(11(19)20)5-8(13)16/h6-7H,2-5,12H2,1H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t6-,7-/m0/s1
InChIKeyBBEIXXUYCIRQEO-BQBZGAKWSA-N
XLogP-2.33
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 14767397
4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
CID 103868880
(4S)-4-amino-5-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 145455285
4-amino-5-[[1-[[4-amino-1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18262503
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
4-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18220817
(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 88715906
(2S)-4-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 145455000
4-amino-2-[[4-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18484396

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid (CID 90954445) is (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid is CCNC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The InChIKey is BBEIXXUYCIRQEO-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-2-14-9(17)4-3-6(12)10(18)15-7(11(19)20)5-8(13)16/h6-7H,2-5,12H2,1H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t6-,7-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -2.33, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 90954445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).