2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C12H24N2O4 — CID 14542366

IUPAC2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCN(C)CCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)13-7-6-10(15)17-9-8-14(4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyMALHRBKEHSCJIF-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.01
Rot. Bonds6

About 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 14542366) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID14542366
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCN(C)CCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)13-7-6-10(15)17-9-8-14(4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyMALHRBKEHSCJIF-UHFFFAOYSA-N
XLogP1.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
octyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59559115
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 14542366) is 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CN(C)CCOC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MALHRBKEHSCJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)18-11(16)13-7-6-10(15)17-9-8-14(4)5/h6-9H2,1-5H3,(H,13,16).
What are the key properties of 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 260.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 14542366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).