4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid

C9H18N2O4 — CID 65106502

IUPAC4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)(O)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,15)5-11-8(14)6(10)3-4-7(12)13/h6,15H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXHMGDPZTGQLIOY-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.93
Rot. Bonds6

About 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid

4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid (PubChem CID 65106502) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
PubChem CID65106502
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCC(C)(O)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,15)5-11-8(14)6(10)3-4-7(12)13/h6,15H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXHMGDPZTGQLIOY-UHFFFAOYSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
CID 107569825
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
4-amino-6,6,7-trimethyl-5-oxooctanoic acid
CID 129034412
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
CID 66168915

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid (CID 65106502) is 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid is CC(C)(O)CNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The InChIKey is XHMGDPZTGQLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,15)5-11-8(14)6(10)3-4-7(12)13/h6,15H,3-5,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 65106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).