5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C13H25NO4 — CID 107151222

IUPAC5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)CC(O)CNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO4/c1-9(2)5-10(15)8-14-11(16)6-13(3,4)7-12(17)18/h9-10,15H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyNYACUZJUTAYCKF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.40
Rot. Bonds8

About 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 107151222) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID107151222
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)CC(O)CNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO4/c1-9(2)5-10(15)8-14-11(16)6-13(3,4)7-12(17)18/h9-10,15H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyNYACUZJUTAYCKF-UHFFFAOYSA-N
XLogP1.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933194
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
3-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 107155574
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 107151222) is 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)CC(O)CNC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is NYACUZJUTAYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)5-10(15)8-14-11(16)6-13(3,4)7-12(17)18/h9-10,15H,5-8H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 107151222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).