ethyl 2-aminoacetate;propyl 4-aminobutanoate

C11H24N2O4 — CID 153354059

IUPACethyl 2-aminoacetate;propyl 4-aminobutanoate
SMILESCCCOC(=O)CCCN.CCOC(=O)CN
InChIInChI=1S/C7H15NO2.C4H9NO2/c1-2-6-10-7(9)4-3-5-8;1-2-7-4(6)3-5/h2-6,8H2,1H3;2-3,5H2,1H3
InChIKeyFMGAQUKZTNHBPO-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.19
Rot. Bonds7

About ethyl 2-aminoacetate;propyl 4-aminobutanoate

ethyl 2-aminoacetate;propyl 4-aminobutanoate (PubChem CID 153354059) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-aminoacetate;propyl 4-aminobutanoate.

Molecular Properties

Compound Nameethyl 2-aminoacetate;propyl 4-aminobutanoate
PubChem CID153354059
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Nameethyl 2-aminoacetate;propyl 4-aminobutanoate
SMILESCCCOC(=O)CCCN.CCOC(=O)CN
InChIInChI=1S/C7H15NO2.C4H9NO2/c1-2-6-10-7(9)4-3-5-8;1-2-7-4(6)3-5/h2-6,8H2,1H3;2-3,5H2,1H3
InChIKeyFMGAQUKZTNHBPO-UHFFFAOYSA-N
XLogP0.19
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Butyl 4-aminobutanoate
CID 14697327
gamma-Aminobutyrylcholine
CID 164658
4-Aminobutyric acid 2-(4-amino-butyryloxy)-ethyl ester
CID 129826285
2-(4-Azaniumylbutanoyloxy)ethylazanium;2,2,2-trifluoroacetate
CID 142152095
Ethyl 2,4-diaminobutanoate
CID 153750
2-(Dimethylamino)ethyl 4-aminobutanoate
CID 413181
2-(2-Aminoacetyl)oxyethyl 4-aminobutanoate
CID 9813096
4-(4-Aminobutanoyloxy)butyl 4-aminobutanoate
CID 9878366
ethyl (2S)-2,4-diaminobutanoate
CID 12988385
Ethyl 2,4-diaminobutanoate;dihydrochloride
CID 21989257
(4-Butoxy-4-oxobutyl)azanium
CID 44373865
Butyl 4-amino-2-thionitrosobutanoate
CID 54491551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminoacetate;propyl 4-aminobutanoate?
The IUPAC name of ethyl 2-aminoacetate;propyl 4-aminobutanoate (CID 153354059) is ethyl 2-aminoacetate;propyl 4-aminobutanoate.
What is the SMILES notation for ethyl 2-aminoacetate;propyl 4-aminobutanoate?
The canonical SMILES for ethyl 2-aminoacetate;propyl 4-aminobutanoate is CCCOC(=O)CCCN.CCOC(=O)CN.
What is the InChIKey of ethyl 2-aminoacetate;propyl 4-aminobutanoate?
The InChIKey is FMGAQUKZTNHBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C4H9NO2/c1-2-6-10-7(9)4-3-5-8;1-2-7-4(6)3-5/h2-6,8H2,1H3;2-3,5H2,1H3.
What are the key properties of ethyl 2-aminoacetate;propyl 4-aminobutanoate?
ethyl 2-aminoacetate;propyl 4-aminobutanoate has a molecular weight of 248.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminoacetate;propyl 4-aminobutanoate is sourced from PubChem (CID 153354059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).