tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate

C13H26N2O3 — CID 103268735

IUPACtert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
SMILESCCN(C)C(=O)C(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-15(6)12(17)10(2)14-9-8-11(16)18-13(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyMGQASAQGBMXJKF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.17
Rot. Bonds6

About tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate

tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate (PubChem CID 103268735) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
PubChem CID103268735
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
SMILESCCN(C)C(=O)C(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-15(6)12(17)10(2)14-9-8-11(16)18-13(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyMGQASAQGBMXJKF-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347
N-ethyl-2-(2-ethylsulfanylethylamino)-N-methylpropanamide
CID 103108877
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate (CID 103268735) is tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate is CCN(C)C(=O)C(C)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is MGQASAQGBMXJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-15(6)12(17)10(2)14-9-8-11(16)18-13(3,4)5/h10,14H,7-9H2,1-6H3.
What are the key properties of tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate?
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 258.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 103268735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).