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

C15H28N2O4 — CID 62934620

IUPAC5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10(14(2,3)4)17(7)13(21)16-11(18)8-15(5,6)9-12(19)20/h10H,8-9H2,1-7H3,(H,19,20)(H,16,18,21)
InChIKeyLMHWYVCCUPBPHQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.48
Rot. Bonds5

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

5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934620) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934620
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10(14(2,3)4)17(7)13(21)16-11(18)8-15(5,6)9-12(19)20/h10H,8-9H2,1-7H3,(H,19,20)(H,16,18,21)
InChIKeyLMHWYVCCUPBPHQ-UHFFFAOYSA-N
XLogP2.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62933414
(E)-4-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 55008721
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 62933867
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934621
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986

Frequently Asked Questions

What is the IUPAC name of 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934620) is 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid is CC(N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C.
What is the InChIKey of 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is LMHWYVCCUPBPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(14(2,3)4)17(7)13(21)16-11(18)8-15(5,6)9-12(19)20/h10H,8-9H2,1-7H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).