3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid

C14H29N3O3 — CID 65265934

IUPAC3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)CCNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-7-17(8-2)10-9-15-12(20)16-14(5,6)13(3,4)11(18)19/h7-10H2,1-6H3,(H,18,19)(H2,15,16,20)
InChIKeyMZDGPNZPCKJLDZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds8

About 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid

3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265934) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65265934
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)CCNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-7-17(8-2)10-9-15-12(20)16-14(5,6)13(3,4)11(18)19/h7-10H2,1-6H3,(H,18,19)(H2,15,16,20)
InChIKeyMZDGPNZPCKJLDZ-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
3-(2-acetamidoethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266386
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65265130
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295
2,2,3-trimethyl-3-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004455
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid (CID 65265934) is 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid is CCN(CC)CCNC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is MZDGPNZPCKJLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-7-17(8-2)10-9-15-12(20)16-14(5,6)13(3,4)11(18)19/h7-10H2,1-6H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).