3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid

C12H23NO3 — CID 62934378

IUPAC3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
SMILESCC(C)C(C)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-8(2)9(3)13-10(14)6-12(4,5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyCPJIGGREBKLPFJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.04
Rot. Bonds6

About 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid

3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid (PubChem CID 62934378) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
PubChem CID62934378
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
SMILESCC(C)C(C)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-8(2)9(3)13-10(14)6-12(4,5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyCPJIGGREBKLPFJ-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107214897
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933194
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
5-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81353966
5-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81355516
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid (CID 62934378) is 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid is CC(C)C(C)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid?
The InChIKey is CPJIGGREBKLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)9(3)13-10(14)6-12(4,5)7-11(15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62934378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).