ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate

C13H29N3O2 — CID 63700322

IUPACethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCN(C)CCCN(C)C
InChIInChI=1S/C13H29N3O2/c1-6-18-12(17)13(2,14)8-11-16(5)10-7-9-15(3)4/h6-11,14H2,1-5H3
InChIKeyFPONTSLQZIAYOW-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.54
Rot. Bonds9

About ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate

ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate (PubChem CID 63700322) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
PubChem CID63700322
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Nameethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCN(C)CCCN(C)C
InChIInChI=1S/C13H29N3O2/c1-6-18-12(17)13(2,14)8-11-16(5)10-7-9-15(3)4/h6-11,14H2,1-5H3
InChIKeyFPONTSLQZIAYOW-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81073933
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
CID 55226399
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl 2-amino-6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-methylhexanoate
CID 114234529
2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
CID 63699969
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate?
The IUPAC name of ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate (CID 63700322) is ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate?
The canonical SMILES for ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate is CCOC(=O)C(C)(N)CCN(C)CCCN(C)C.
What is the InChIKey of ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate?
The InChIKey is FPONTSLQZIAYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-6-18-12(17)13(2,14)8-11-16(5)10-7-9-15(3)4/h6-11,14H2,1-5H3.
What are the key properties of ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate?
ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate has a molecular weight of 259.39 g/mol, XLogP of 0.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate is sourced from PubChem (CID 63700322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).