(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid

C10H18N2O5 — CID 90239937

IUPAC(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(O)CC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,17)5-8(14)12-6(9(15)16)3-4-7(11)13/h6,17H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeySBRXYJTYFLAVTI-LURJTMIESA-N
MW246.26 g/mol
LogP-1.02
Rot. Bonds7

About (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid (PubChem CID 90239937) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
PubChem CID90239937
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(O)CC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,17)5-8(14)12-6(9(15)16)3-4-7(11)13/h6,17H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeySBRXYJTYFLAVTI-LURJTMIESA-N
XLogP-1.02
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-3-methylbutanoyl)amino]pentanedioic acid
CID 90258530
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 65292107
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
(2S)-5-amino-2-[(3-amino-5,5-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 104867283
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2S)-2-[(3-amino-3-methylbutanoyl)amino]pentanedioic acid
CID 64677368
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid (CID 90239937) is (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid is CC(C)(O)CC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The InChIKey is SBRXYJTYFLAVTI-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,17)5-8(14)12-6(9(15)16)3-4-7(11)13/h6,17H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 90239937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).