ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate

C12H26N2O2 — CID 63029409

IUPACethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC(C)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(3)9-14(4)8-7-11(13)12(15)16-6-2/h10-11H,5-9,13H2,1-4H3
InChIKeyPKSARLBDJMGBHN-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.24
Rot. Bonds8

About ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate

ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate (PubChem CID 63029409) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
PubChem CID63029409
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC(C)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(3)9-14(4)8-7-11(13)12(15)16-6-2/h10-11H,5-9,13H2,1-4H3
InChIKeyPKSARLBDJMGBHN-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053351
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
ethyl 3-[methyl(2-methylpentyl)amino]propanoate
CID 62265391
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
ethyl (2S)-2-amino-4-methylhexanoate
CID 86635246
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl 2-amino-6-[bis(2-hydroxypropyl)amino]hexanoate
CID 173097881
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
ethyl 4-[methyl(2-methylbutyl)amino]-3-oxobutanoate
CID 63898110
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate (CID 63029409) is ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate is CCOC(=O)C(N)CCN(C)CC(C)CC.
What is the InChIKey of ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate?
The InChIKey is PKSARLBDJMGBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(3)9-14(4)8-7-11(13)12(15)16-6-2/h10-11H,5-9,13H2,1-4H3.
What are the key properties of ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate?
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate has a molecular weight of 230.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate is sourced from PubChem (CID 63029409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).