2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate

C15H30N2O4 — CID 153430111

IUPAC2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-7-15(5,6)12(18)20-11-10-17(9-8-16)13(19)21-14(2,3)4/h7-11,16H2,1-6H3
InChIKeyHKGCSFPYINRMFK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.16
Rot. Bonds7

About 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate

2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate (PubChem CID 153430111) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate
PubChem CID153430111
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-7-15(5,6)12(18)20-11-10-17(9-8-16)13(19)21-14(2,3)4/h7-11,16H2,1-6H3
InChIKeyHKGCSFPYINRMFK-UHFFFAOYSA-N
XLogP2.16
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-sulfanylacetyl)oxyethyl]amino]ethyl 2-sulfanylacetate
CID 91117825
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668
tert-butyl N,N-bis(2-fluoroethyl)carbamate
CID 142420542
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethylamino]ethyl]amino]ethyl]carbamate
CID 126613496
tert-butyl N,N-dipentylcarbamate
CID 65142743
4-(dimethylamino)butyl 2,2-dimethylbutanoate
CID 58545338

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate (CID 153430111) is 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate?
The InChIKey is HKGCSFPYINRMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-7-15(5,6)12(18)20-11-10-17(9-8-16)13(19)21-14(2,3)4/h7-11,16H2,1-6H3.
What are the key properties of 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate?
2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate has a molecular weight of 302.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 153430111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).