tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate

C13H26N2O3 — CID 113226677

IUPACtert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
SMILESCCCCN(CCC(=O)OC(C)(C)C)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-8-15(10-11(14)16)9-7-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H2,14,16)
InChIKeyPRDPNIBVYPWLMK-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.31
Rot. Bonds8

About tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate

tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate (PubChem CID 113226677) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
PubChem CID113226677
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
SMILESCCCCN(CCC(=O)OC(C)(C)C)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-8-15(10-11(14)16)9-7-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H2,14,16)
InChIKeyPRDPNIBVYPWLMK-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
tert-butyl pentanoate;hydrazine
CID 174371267
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 4-(diethylamino)butanoate
CID 122660980
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
tert-butyl octacosanoate
CID 174872722

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate?
The IUPAC name of tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate (CID 113226677) is tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate is CCCCN(CCC(=O)OC(C)(C)C)CC(N)=O.
What is the InChIKey of tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate?
The InChIKey is PRDPNIBVYPWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-8-15(10-11(14)16)9-7-12(17)18-13(2,3)4/h5-10H2,1-4H3,(H2,14,16).
What are the key properties of tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate?
tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate has a molecular weight of 258.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate is sourced from PubChem (CID 113226677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).