ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate

C10H22N2O2 — CID 102538605

IUPACethyl 2-amino-3-(dimethylamino)-4-methylpentanoate
SMILESCCOC(=O)C(N)C(C(C)C)N(C)C
InChIInChI=1S/C10H22N2O2/c1-6-14-10(13)8(11)9(7(2)3)12(4)5/h7-9H,6,11H2,1-5H3
InChIKeyKOUUVHMAKVATPI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.46
Rot. Bonds5

About ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate

ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate (PubChem CID 102538605) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(dimethylamino)-4-methylpentanoate
PubChem CID102538605
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethyl 2-amino-3-(dimethylamino)-4-methylpentanoate
SMILESCCOC(=O)C(N)C(C(C)C)N(C)C
InChIInChI=1S/C10H22N2O2/c1-6-14-10(13)8(11)9(7(2)3)12(4)5/h7-9H,6,11H2,1-5H3
InChIKeyKOUUVHMAKVATPI-UHFFFAOYSA-N
XLogP0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl 2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323288
ethyl (2S)-2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323287
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
CID 168971540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate?
The IUPAC name of ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate (CID 102538605) is ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate?
The canonical SMILES for ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate is CCOC(=O)C(N)C(C(C)C)N(C)C.
What is the InChIKey of ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate?
The InChIKey is KOUUVHMAKVATPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-6-14-10(13)8(11)9(7(2)3)12(4)5/h7-9H,6,11H2,1-5H3.
What are the key properties of ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate?
ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate has a molecular weight of 202.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(dimethylamino)-4-methylpentanoate is sourced from PubChem (CID 102538605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).