methyl 2-(aminomethyl)pentanoate

C7H15NO2 — CID 65220226

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

About methyl 2-(aminomethyl)pentanoate

methyl 2-(aminomethyl)pentanoate (PubChem CID 65220226) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-(aminomethyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)pentanoate
PubChem CID65220226
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-(aminomethyl)pentanoate
SMILESCCCC(CN)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-4-6(5-8)7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyXKSDBHSCRDECIK-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

Analyze methyl 2-(aminomethyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-propyltetradecanoate
CID 174361538
methyl 6-hydroxy-2-propylhexanoate
CID 176968447
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823
methyl 2-hydroxypentanoate
CID 543619
methyl 2-aminopentanoate
CID 533890
methyl 2-undecyltridecanoate
CID 176610383
5-(aminomethyl)-2-methyloct-1-en-4-one
CID 116574621
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
2-propylpentanoyl 2-propylpentanoate
CID 10923624
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
methyl 4-oxo-2-propyltridecanoate
CID 123983660
methyl (2R)-2-methoxypentanoate
CID 30403288

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)pentanoate?
The IUPAC name of methyl 2-(aminomethyl)pentanoate (CID 65220226) is methyl 2-(aminomethyl)pentanoate.
What is the SMILES notation for methyl 2-(aminomethyl)pentanoate?
The canonical SMILES for methyl 2-(aminomethyl)pentanoate is CCCC(CN)C(=O)OC.
What is the InChIKey of methyl 2-(aminomethyl)pentanoate?
The InChIKey is XKSDBHSCRDECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-6(5-8)7(9)10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)pentanoate?
methyl 2-(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 2-(aminomethyl)pentanoate is sourced from PubChem (CID 65220226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).