ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate

C12H24N2O3 — CID 59448007

IUPACethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCO[C@@H](CN)C1
InChIInChI=1S/C12H24N2O3/c1-2-16-12(15)5-3-4-6-14-7-8-17-11(9-13)10-14/h11H,2-10,13H2,1H3/t11-/m0/s1
InChIKeyZKGNXQKVIQRDEK-NSHDSACASA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds7

About ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate

ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate (PubChem CID 59448007) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate
PubChem CID59448007
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCO[C@@H](CN)C1
InChIInChI=1S/C12H24N2O3/c1-2-16-12(15)5-3-4-6-14-7-8-17-11(9-13)10-14/h11H,2-10,13H2,1H3/t11-/m0/s1
InChIKeyZKGNXQKVIQRDEK-NSHDSACASA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate?
The IUPAC name of ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate (CID 59448007) is ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate.
What is the SMILES notation for ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate?
The canonical SMILES for ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate is CCOC(=O)CCCCN1CCO[C@@H](CN)C1.
What is the InChIKey of ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate?
The InChIKey is ZKGNXQKVIQRDEK-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-16-12(15)5-3-4-6-14-7-8-17-11(9-13)10-14/h11H,2-10,13H2,1H3/t11-/m0/s1.
What are the key properties of ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate?
ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2S)-2-(aminomethyl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 59448007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).