tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate

C12H25NO3 — CID 60689457

IUPACtert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
SMILESCCCCN(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-6-7-13(8-9-14)10-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3
InChIKeyAQFXKGJRFLFRRA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.42
Rot. Bonds7

About tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate

tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate (PubChem CID 60689457) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
PubChem CID60689457
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
SMILESCCCCN(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-6-7-13(8-9-14)10-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3
InChIKeyAQFXKGJRFLFRRA-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
CID 113226677
3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]propyl hexanoate
CID 129286483
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608
tert-butyl 2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-propylamino]ethyl-propylamino]acetate;pentan-1-amine;propane
CID 145080962
tert-butyl 2-[2-[bis[(Z)-non-3-enyl]amino]ethyl-[(Z)-non-3-enyl]amino]acetate
CID 142498872
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-oxo-2-(pentylamino)ethyl]amino]ethyl]amino]acetate
CID 18778829
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
2-[butyl(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60689153
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106616742
2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
CID 169192087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate (CID 60689457) is tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate is CCCCN(CCO)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate?
The InChIKey is AQFXKGJRFLFRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-6-7-13(8-9-14)10-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate?
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate has a molecular weight of 231.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 60689457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).