methyl 3-(aminomethyl)pentanoate

C7H15NO2 — CID 66099134

IUPACmethyl 3-(aminomethyl)pentanoate
SMILESCCC(CN)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-6(5-8)4-7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyYEYKNKBUYDZIIE-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds4

About methyl 3-(aminomethyl)pentanoate

methyl 3-(aminomethyl)pentanoate (PubChem CID 66099134) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-(aminomethyl)pentanoate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)pentanoate
PubChem CID66099134
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-(aminomethyl)pentanoate
SMILESCCC(CN)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-6(5-8)4-7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyYEYKNKBUYDZIIE-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-(aminomethyl)hexanoate
CID 87371995
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065
3-(aminomethyl)pentanehydrazide
CID 81079841
2-(2-methylpropoxy)ethyl 3-(aminomethyl)pentanoate
CID 106447989
methyl 3-ethyldecanoate
CID 154021576
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952
dimethyl 5-ethyl-3,3-dimethylheptanedioate
CID 123685679
(3,5-dimethylcyclohexyl) 3-(aminomethyl)pentanoate
CID 81073637
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)pentanoate?
The IUPAC name of methyl 3-(aminomethyl)pentanoate (CID 66099134) is methyl 3-(aminomethyl)pentanoate.
What is the SMILES notation for methyl 3-(aminomethyl)pentanoate?
The canonical SMILES for methyl 3-(aminomethyl)pentanoate is CCC(CN)CC(=O)OC.
What is the InChIKey of methyl 3-(aminomethyl)pentanoate?
The InChIKey is YEYKNKBUYDZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-6(5-8)4-7(9)10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of methyl 3-(aminomethyl)pentanoate?
methyl 3-(aminomethyl)pentanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)pentanoate is sourced from PubChem (CID 66099134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).