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

C14H26N2O4 — CID 60834906

IUPAC4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESCC1CN(C(=O)CN(CCCC(=O)O)C(C)C)CCO1
InChIInChI=1S/C14H26N2O4/c1-11(2)15(6-4-5-14(18)19)10-13(17)16-7-8-20-12(3)9-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyLXJPEDWWVCONAH-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.81
Rot. Bonds7

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

4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid (PubChem CID 60834906) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
PubChem CID60834906
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
SMILESCC1CN(C(=O)CN(CCCC(=O)O)C(C)C)CCO1
InChIInChI=1S/C14H26N2O4/c1-11(2)15(6-4-5-14(18)19)10-13(17)16-7-8-20-12(3)9-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyLXJPEDWWVCONAH-UHFFFAOYSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-Dimethylmorpholin-4-yl)-4-oxobutanoic acid
CID 6466368
4-(morpholin-4-yl)-2-(2,2,2-trifluoro-N-methylacetamido)butanoic acid
CID 165923454
5-Methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 18352595
4-[4-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid
CID 22122241
4-[4-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid
CID 22122289
(4S,5S)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 53998246
Ethyl 2-(4-butanoylpiperazin-1-yl)butanoate
CID 54220967
4-[2,4-Bis(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 56977655
4-[2-(2-Methoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 57198348
2-(2-Ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid
CID 57212021
2-[(2S)-4-cyclopropyl-1-(2-ethoxy-2-oxoethyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 67746358
2-[4-Cyclopropyl-1-(2-ethoxy-2-oxoethyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 67746362

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid (CID 60834906) is 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid is CC1CN(C(=O)CN(CCCC(=O)O)C(C)C)CCO1.
What is the InChIKey of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
The InChIKey is LXJPEDWWVCONAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)15(6-4-5-14(18)19)10-13(17)16-7-8-20-12(3)9-16/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid?
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60834906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).