3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid

C13H25NO3 — CID 62933867

IUPAC3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)C(C)N(C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)10(3)14(6)11(15)7-13(4,5)8-12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyPMUVGLOHSWNZRZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.38
Rot. Bonds6

About 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid

3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 62933867) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
PubChem CID62933867
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)C(C)N(C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)10(3)14(6)11(15)7-13(4,5)8-12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyPMUVGLOHSWNZRZ-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
2-amino-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 43570257
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934926
5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935261
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
5-[4-(dimethylcarbamoyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935437
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933573
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
4-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 116908193
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid (CID 62933867) is 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid is CC(C)C(C)N(C)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is PMUVGLOHSWNZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)10(3)14(6)11(15)7-13(4,5)8-12(16)17/h9-10H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62933867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).