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

C14H26N2O4 — CID 62933414

IUPAC3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCCC(C)N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-6-7-10(2)16(5)13(20)15-11(17)8-14(3,4)9-12(18)19/h10H,6-9H2,1-5H3,(H,18,19)(H,15,17,20)
InChIKeyKENWBCUYESSMNP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.23
Rot. Bonds7

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

3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 62933414) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID62933414
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCCC(C)N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-6-7-10(2)16(5)13(20)15-11(17)8-14(3,4)9-12(18)19/h10H,6-9H2,1-5H3,(H,18,19)(H,15,17,20)
InChIKeyKENWBCUYESSMNP-UHFFFAOYSA-N
XLogP2.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 62933414) is 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid is CCCC(C)N(C)C(=O)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is KENWBCUYESSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-7-10(2)16(5)13(20)15-11(17)8-14(3,4)9-12(18)19/h10H,6-9H2,1-5H3,(H,18,19)(H,15,17,20).
What are the key properties of 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 62933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).