ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate

C14H28N2O3 — CID 65227189

IUPACethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(CN)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-10(2)3)14(18)12(7-15)11(4)5/h10-12H,6-9,15H2,1-5H3
InChIKeyKJAPUCAFPTVLOO-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.26
Rot. Bonds8

About ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate (PubChem CID 65227189) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
PubChem CID65227189
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(CN)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-10(2)3)14(18)12(7-15)11(4)5/h10-12H,6-9,15H2,1-5H3
InChIKeyKJAPUCAFPTVLOO-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
CID 54871139
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 2-[2-(azetidin-3-ylidene)propanoyl-(2-methylpropyl)amino]acetate
CID 116676453
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835221
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate (CID 65227189) is ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C(CN)C(C)C.
What is the InChIKey of ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate?
The InChIKey is KJAPUCAFPTVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-19-13(17)9-16(8-10(2)3)14(18)12(7-15)11(4)5/h10-12H,6-9,15H2,1-5H3.
What are the key properties of ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 65227189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).