(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid

C11H21N3O4 — CID 79814047

IUPAC(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
SMILESCCC(N)(CC)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-11(13,4-2)10(18)14-7(9(16)17)5-6-8(12)15/h7H,3-6,13H2,1-2H3,(H2,12,15)(H,14,18)(H,16,17)/t7-/m0/s1
InChIKeyVQZANECLCMERAY-ZETCQYMHSA-N
MW259.31 g/mol
LogP-0.66
Rot. Bonds8

About (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid (PubChem CID 79814047) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
PubChem CID79814047
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
SMILESCCC(N)(CC)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-11(13,4-2)10(18)14-7(9(16)17)5-6-8(12)15/h7H,3-6,13H2,1-2H3,(H2,12,15)(H,14,18)(H,16,17)/t7-/m0/s1
InChIKeyVQZANECLCMERAY-ZETCQYMHSA-N
XLogP-0.66
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
CID 174723858
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
CID 114032465
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid (CID 79814047) is (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid is CCC(N)(CC)C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid?
The InChIKey is VQZANECLCMERAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-11(13,4-2)10(18)14-7(9(16)17)5-6-8(12)15/h7H,3-6,13H2,1-2H3,(H2,12,15)(H,14,18)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 79814047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).