methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate

C9H20N2O3 — CID 104645223

IUPACmethyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN(C)CCCN
InChIInChI=1S/C9H20N2O3/c1-9(13,8(12)14-3)7-11(2)6-4-5-10/h13H,4-7,10H2,1-3H3
InChIKeySCORLQRXQHXUCL-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.81
Rot. Bonds6

About methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate

methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate (PubChem CID 104645223) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
PubChem CID104645223
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Namemethyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN(C)CCCN
InChIInChI=1S/C9H20N2O3/c1-9(13,8(12)14-3)7-11(2)6-4-5-10/h13H,4-7,10H2,1-3H3
InChIKeySCORLQRXQHXUCL-UHFFFAOYSA-N
XLogP-0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645222
methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 112661457
methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
CID 115976307
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 2,5-diamino-2-hydroxypentanoate
CID 139916630
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
dimethyl 2,2-bis(3-aminopropyl)propanedioate;dihydrochloride
CID 22364631
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate (CID 104645223) is methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CN(C)CCCN.
What is the InChIKey of methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is SCORLQRXQHXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(13,8(12)14-3)7-11(2)6-4-5-10/h13H,4-7,10H2,1-3H3.
What are the key properties of methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate?
methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 204.27 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 104645223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).