4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid

C13H26N2O3 — CID 60834108

IUPAC4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESCCN(CC)C(=O)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-5-14(6-2)12(16)10-15(11(3)4)9-7-8-13(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyDVPZGTAANMUUHJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.43
Rot. Bonds9

About 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid

4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid (PubChem CID 60834108) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
PubChem CID60834108
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESCCN(CC)C(=O)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-5-14(6-2)12(16)10-15(11(3)4)9-7-8-13(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyDVPZGTAANMUUHJ-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 54925440
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834905
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid (CID 60834108) is 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid is CCN(CC)C(=O)CN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The InChIKey is DVPZGTAANMUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-14(6-2)12(16)10-15(11(3)4)9-7-8-13(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60834108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).