3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid

C14H28N2O3 — CID 82327090

IUPAC3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)CN(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-16(7-2)13(17)10-15(8-11(3)4)9-12(5)14(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyLWHVCAIGXJIPCZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.53
Rot. Bonds9

About 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid

3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid (PubChem CID 82327090) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
PubChem CID82327090
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)CN(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-16(7-2)13(17)10-15(8-11(3)4)9-12(5)14(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyLWHVCAIGXJIPCZ-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid (CID 82327090) is 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid is CCN(CC)C(=O)CN(CC(C)C)CC(C)C(=O)O.
What is the InChIKey of 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is LWHVCAIGXJIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-16(7-2)13(17)10-15(8-11(3)4)9-12(5)14(18)19/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid?
3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82327090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).