ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride

C15H30ClNO4 — CID 158367193

IUPACditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride
SMILESCC(C)(C)OC(=O)CC(C)(CCN)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C15H29NO4.ClH/c1-13(2,3)19-11(17)10-15(7,8-9-16)12(18)20-14(4,5)6;/h8-10,16H2,1-7H3;1H
InChIKeyNQUALYZXGVEJRL-UHFFFAOYSA-N
MW323.86 g/mol
LogP2.84
Rot. Bonds5

About ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride

ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride (PubChem CID 158367193) has the molecular formula C15H30ClNO4 and a molecular weight of 323.86 g/mol. Its IUPAC name is ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride.

Molecular Properties

Compound Nameditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride
PubChem CID158367193
Molecular FormulaC15H30ClNO4
Molecular Weight323.86 g/mol
Exact Mass323.19
IUPAC Nameditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride
SMILESCC(C)(C)OC(=O)CC(C)(CCN)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C15H29NO4.ClH/c1-13(2,3)19-11(17)10-15(7,8-9-16)12(18)20-14(4,5)6;/h8-10,16H2,1-7H3;1H
InChIKeyNQUALYZXGVEJRL-UHFFFAOYSA-N
XLogP2.84
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-tert-butyl 1-O-methyl 2,2-diaminobutanedioate
CID 54473599
1-O-bromo 3-O-tert-butyl 2-(2-aminoethyl)-2-methylpropanedioate
CID 174723568
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
tert-butyl 5-bromo-3,3-dimethylpentanoate
CID 167718322
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
CID 87168072
1-O-tert-butyl 2-O,2-O-dimethyl 4-bromopent-4-ene-1,2,2-tricarboxylate
CID 11122076
tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
CID 155065541

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride?
The IUPAC name of ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride (CID 158367193) is ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride.
What is the SMILES notation for ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride?
The canonical SMILES for ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride is CC(C)(C)OC(=O)CC(C)(CCN)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride?
The InChIKey is NQUALYZXGVEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4.ClH/c1-13(2,3)19-11(17)10-15(7,8-9-16)12(18)20-14(4,5)6;/h8-10,16H2,1-7H3;1H.
What are the key properties of ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride?
ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride is sourced from PubChem (CID 158367193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).