3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid

C12H24N2O3 — CID 65265975

IUPAC3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(17)13-12(5,6)11(3,4)9(15)16/h7-8H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyOGRVOEVEFURLRC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds5

About 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid

3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65265975) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65265975
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(17)13-12(5,6)11(3,4)9(15)16/h7-8H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyOGRVOEVEFURLRC-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid (CID 65265975) is 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid is CCN(CC)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is OGRVOEVEFURLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-14(8-2)10(17)13-12(5,6)11(3,4)9(15)16/h7-8H2,1-6H3,(H,13,17)(H,15,16).
What are the key properties of 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid?
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).