4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid

C16H29NO6 — CID 71382387

IUPAC4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)CN(CCCC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO6/c1-15(2,3)22-13(20)10-17(9-7-8-12(18)19)11-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,18,19)
InChIKeyMOTAGPUVNXCPKH-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.84
Rot. Bonds8

About 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid

4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid (PubChem CID 71382387) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
PubChem CID71382387
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Name4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
SMILESCC(C)(C)OC(=O)CN(CCCC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO6/c1-15(2,3)22-13(20)10-17(9-7-8-12(18)19)11-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,18,19)
InChIKeyMOTAGPUVNXCPKH-UHFFFAOYSA-N
XLogP1.84
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid with MolForge

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Related Compounds

tert-butyl 4-(diethylamino)butanoate
CID 122660980
benzyl 4-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 135337820
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608
3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]propyl hexanoate
CID 129286483
2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[(1S,2S)-2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-(carboxymethyl)amino]cyclohexyl]amino]acetic acid
CID 132504331
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
CID 113366624
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592

Frequently Asked Questions

What is the IUPAC name of 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid (CID 71382387) is 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid is CC(C)(C)OC(=O)CN(CCCC(=O)O)CC(=O)OC(C)(C)C.
What is the InChIKey of 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid?
The InChIKey is MOTAGPUVNXCPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO6/c1-15(2,3)22-13(20)10-17(9-7-8-12(18)19)11-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,18,19).
What are the key properties of 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid?
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid has a molecular weight of 331.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 71382387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).