methyl 5-amino-2-(1-aminoethyl)pentanoate

C8H18N2O2 — CID 19005199

IUPACmethyl 5-amino-2-(1-aminoethyl)pentanoate
SMILESCOC(=O)C(CCCN)C(C)N
InChIInChI=1S/C8H18N2O2/c1-6(10)7(4-3-5-9)8(11)12-2/h6-7H,3-5,9-10H2,1-2H3
InChIKeyNOSWBPZRTFGKLL-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.14
Rot. Bonds5

About methyl 5-amino-2-(1-aminoethyl)pentanoate

methyl 5-amino-2-(1-aminoethyl)pentanoate (PubChem CID 19005199) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 5-amino-2-(1-aminoethyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(1-aminoethyl)pentanoate
PubChem CID19005199
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl 5-amino-2-(1-aminoethyl)pentanoate
SMILESCOC(=O)C(CCCN)C(C)N
InChIInChI=1S/C8H18N2O2/c1-6(10)7(4-3-5-9)8(11)12-2/h6-7H,3-5,9-10H2,1-2H3
InChIKeyNOSWBPZRTFGKLL-UHFFFAOYSA-N
XLogP-0.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
ethane;methyl 2,5-diaminopentanoate
CID 142442335
[(2S)-5-amino-1-methoxy-1-oxopentan-2-yl]-trimethylazanium
CID 87319062
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 4-amino-2-(difluoromethyl)butanoate
CID 105433282
methyl 2-propan-2-yltetradecanoate
CID 118450856
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
methyl 5-amino-2-(chloromethylamino)pentanoate
CID 18177484
methyl 4-amino-2-(propan-2-ylamino)butanoate
CID 105435859

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(1-aminoethyl)pentanoate?
The IUPAC name of methyl 5-amino-2-(1-aminoethyl)pentanoate (CID 19005199) is methyl 5-amino-2-(1-aminoethyl)pentanoate.
What is the SMILES notation for methyl 5-amino-2-(1-aminoethyl)pentanoate?
The canonical SMILES for methyl 5-amino-2-(1-aminoethyl)pentanoate is COC(=O)C(CCCN)C(C)N.
What is the InChIKey of methyl 5-amino-2-(1-aminoethyl)pentanoate?
The InChIKey is NOSWBPZRTFGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(10)7(4-3-5-9)8(11)12-2/h6-7H,3-5,9-10H2,1-2H3.
What are the key properties of methyl 5-amino-2-(1-aminoethyl)pentanoate?
methyl 5-amino-2-(1-aminoethyl)pentanoate has a molecular weight of 174.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(1-aminoethyl)pentanoate is sourced from PubChem (CID 19005199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).