ethyl 4-amino-2-(aminomethyl)butanoate

C7H16N2O2 — CID 10725654

IUPACethyl 4-amino-2-(aminomethyl)butanoate
SMILESCCOC(=O)C(CN)CCN
InChIInChI=1S/C7H16N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-5,8-9H2,1H3
InChIKeyDJLPNJQRUAQNFP-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.53
Rot. Bonds5

About ethyl 4-amino-2-(aminomethyl)butanoate

ethyl 4-amino-2-(aminomethyl)butanoate (PubChem CID 10725654) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethyl 4-amino-2-(aminomethyl)butanoate.

Molecular Properties

Compound Nameethyl 4-amino-2-(aminomethyl)butanoate
PubChem CID10725654
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethyl 4-amino-2-(aminomethyl)butanoate
SMILESCCOC(=O)C(CN)CCN
InChIInChI=1S/C7H16N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-5,8-9H2,1H3
InChIKeyDJLPNJQRUAQNFP-UHFFFAOYSA-N
XLogP-0.53
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(aminomethyl)butanoate?
The IUPAC name of ethyl 4-amino-2-(aminomethyl)butanoate (CID 10725654) is ethyl 4-amino-2-(aminomethyl)butanoate.
What is the SMILES notation for ethyl 4-amino-2-(aminomethyl)butanoate?
The canonical SMILES for ethyl 4-amino-2-(aminomethyl)butanoate is CCOC(=O)C(CN)CCN.
What is the InChIKey of ethyl 4-amino-2-(aminomethyl)butanoate?
The InChIKey is DJLPNJQRUAQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-5,8-9H2,1H3.
What are the key properties of ethyl 4-amino-2-(aminomethyl)butanoate?
ethyl 4-amino-2-(aminomethyl)butanoate has a molecular weight of 160.22 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(aminomethyl)butanoate is sourced from PubChem (CID 10725654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).