5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid

C11H21NO4 — CID 64549300

IUPAC5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(CO)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(3,7-13)12-9(14)5-8(2)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyHPDKJHCFOBKXLM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.76
Rot. Bonds7

About 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid

5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 64549300) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID64549300
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(CO)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(3,7-13)12-9(14)5-8(2)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyHPDKJHCFOBKXLM-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Tert-butylamino)-5-oxopentanoic acid
CID 4643864
(3R)-5-(tert-butylamino)-3-methyl-5-oxopentanoic acid
CID 2190442
5-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid
CID 18931532
5-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 57646048
5-[[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-oxopentanoic acid
CID 57646052
5-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]-3-ethyl-3-methyl-5-oxopentanoic acid
CID 57646055
5-[[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 57646062
5-[[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethyl-5-oxopentanoic acid
CID 57646067
5-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]-2,2-dimethyl-5-oxopentanoic acid
CID 57646072
5-[[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 57646076
5-[[1-Hydroxy-2-(hydroxymethyl)octan-2-yl]amino]-5-oxopentanoic acid
CID 57646081
(2S)-5-(tert-butylamino)-2-methyl-5-oxopentanoic acid
CID 96222257

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid (CID 64549300) is 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid is CCC(C)(CO)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is HPDKJHCFOBKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-11(3,7-13)12-9(14)5-8(2)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 64549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).