methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate

C10H22N2O2 — CID 93035176

IUPACmethyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCCCN(C)C
InChIInChI=1S/C10H22N2O2/c1-9(10(13)14-4)8-11-6-5-7-12(2)3/h9,11H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyUHZBRCRZQLOYJA-SECBINFHSA-N
MW202.30 g/mol
LogP0.34
Rot. Bonds7

About methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate

methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate (PubChem CID 93035176) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
PubChem CID93035176
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namemethyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCCCN(C)C
InChIInChI=1S/C10H22N2O2/c1-9(10(13)14-4)8-11-6-5-7-12(2)3/h9,11H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyUHZBRCRZQLOYJA-SECBINFHSA-N
XLogP0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate (CID 93035176) is methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate is COC(=O)[C@H](C)CNCCCN(C)C.
What is the InChIKey of methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate?
The InChIKey is UHZBRCRZQLOYJA-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(10(13)14-4)8-11-6-5-7-12(2)3/h9,11H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate?
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate has a molecular weight of 202.30 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate is sourced from PubChem (CID 93035176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).