ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate

C11H22N2O3 — CID 60947748

IUPACethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)CCN
InChIInChI=1S/C11H22N2O3/c1-4-16-11(15)8-13(7-9(2)3)10(14)5-6-12/h9H,4-8,12H2,1-3H3
InChIKeyPYYNEQPMEWSEGA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.38
Rot. Bonds7

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

ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate (PubChem CID 60947748) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
PubChem CID60947748
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)CCN
InChIInChI=1S/C11H22N2O3/c1-4-16-11(15)8-13(7-9(2)3)10(14)5-6-12/h9H,4-8,12H2,1-3H3
InChIKeyPYYNEQPMEWSEGA-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
CID 54871139
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
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 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947544
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-[3-aminopropanoyl(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate (CID 60947748) is ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)CCN.
What is the InChIKey of ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate?
The InChIKey is PYYNEQPMEWSEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-16-11(15)8-13(7-9(2)3)10(14)5-6-12/h9H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate?
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate is sourced from PubChem (CID 60947748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).