ethyl 5-amino-2-(methylamino)pentanoate

C8H18N2O2 — CID 88589084

IUPACethyl 5-amino-2-(methylamino)pentanoate
SMILESCCOC(=O)C(CCCN)NC
InChIInChI=1S/C8H18N2O2/c1-3-12-8(11)7(10-2)5-4-6-9/h7,10H,3-6,9H2,1-2H3
InChIKeyBBWFCIVMGXOXJR-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.12
Rot. Bonds6

About ethyl 5-amino-2-(methylamino)pentanoate

ethyl 5-amino-2-(methylamino)pentanoate (PubChem CID 88589084) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 5-amino-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(methylamino)pentanoate
PubChem CID88589084
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethyl 5-amino-2-(methylamino)pentanoate
SMILESCCOC(=O)C(CCCN)NC
InChIInChI=1S/C8H18N2O2/c1-3-12-8(11)7(10-2)5-4-6-9/h7,10H,3-6,9H2,1-2H3
InChIKeyBBWFCIVMGXOXJR-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
propyl 2-(methylamino)hexadecanoate
CID 174448846
ethyl (2S)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87974217
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(methylamino)pentanoate?
The IUPAC name of ethyl 5-amino-2-(methylamino)pentanoate (CID 88589084) is ethyl 5-amino-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 5-amino-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 5-amino-2-(methylamino)pentanoate is CCOC(=O)C(CCCN)NC.
What is the InChIKey of ethyl 5-amino-2-(methylamino)pentanoate?
The InChIKey is BBWFCIVMGXOXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-12-8(11)7(10-2)5-4-6-9/h7,10H,3-6,9H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(methylamino)pentanoate?
ethyl 5-amino-2-(methylamino)pentanoate has a molecular weight of 174.24 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(methylamino)pentanoate is sourced from PubChem (CID 88589084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).