ethane;methyl 2,5-diaminopentanoate

C8H20N2O2 — CID 142442335

IUPACethane;methyl 2,5-diaminopentanoate
SMILESCC.COC(=O)C(N)CCCN
InChIInChI=1S/C6H14N2O2.C2H6/c1-10-6(9)5(8)3-2-4-7;1-2/h5H,2-4,7-8H2,1H3;1-2H3
InChIKeyPJSDDQLYWSOZEM-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.25
Rot. Bonds4

About ethane;methyl 2,5-diaminopentanoate

ethane;methyl 2,5-diaminopentanoate (PubChem CID 142442335) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;methyl 2,5-diaminopentanoate.

Molecular Properties

Compound Nameethane;methyl 2,5-diaminopentanoate
PubChem CID142442335
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Nameethane;methyl 2,5-diaminopentanoate
SMILESCC.COC(=O)C(N)CCCN
InChIInChI=1S/C6H14N2O2.C2H6/c1-10-6(9)5(8)3-2-4-7;1-2/h5H,2-4,7-8H2,1H3;1-2H3
InChIKeyPJSDDQLYWSOZEM-UHFFFAOYSA-N
XLogP0.25
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,6-diaminohexanoate;prop-1-yne
CID 144623204
isocyanic acid;methyl (2S)-2,6-diaminohexanoate
CID 87836343
isocyanic acid;methyl 2,6-diaminohexanoate
CID 174893945
methyl 2-amino-5-fluoropentanoate
CID 81106108
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl (2S)-2-aminohexanoate
CID 7018840
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2,5-diaminopentanoate?
The IUPAC name of ethane;methyl 2,5-diaminopentanoate (CID 142442335) is ethane;methyl 2,5-diaminopentanoate.
What is the SMILES notation for ethane;methyl 2,5-diaminopentanoate?
The canonical SMILES for ethane;methyl 2,5-diaminopentanoate is CC.COC(=O)C(N)CCCN.
What is the InChIKey of ethane;methyl 2,5-diaminopentanoate?
The InChIKey is PJSDDQLYWSOZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H6/c1-10-6(9)5(8)3-2-4-7;1-2/h5H,2-4,7-8H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2,5-diaminopentanoate?
ethane;methyl 2,5-diaminopentanoate has a molecular weight of 176.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2,5-diaminopentanoate is sourced from PubChem (CID 142442335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).