methyl 3-(6-aminohexanoylamino)propanoate

C10H20N2O3 — CID 61252126

IUPACmethyl 3-(6-aminohexanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CCCCCN
InChIInChI=1S/C10H20N2O3/c1-15-10(14)6-8-12-9(13)5-3-2-4-7-11/h2-8,11H2,1H3,(H,12,13)
InChIKeyILSFBMAIRXCWLW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds8

About methyl 3-(6-aminohexanoylamino)propanoate

methyl 3-(6-aminohexanoylamino)propanoate (PubChem CID 61252126) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-(6-aminohexanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-aminohexanoylamino)propanoate
PubChem CID61252126
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-(6-aminohexanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CCCCCN
InChIInChI=1S/C10H20N2O3/c1-15-10(14)6-8-12-9(13)5-3-2-4-7-11/h2-8,11H2,1H3,(H,12,13)
InChIKeyILSFBMAIRXCWLW-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-(6-aminohexanoylamino)propanoate 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 10-aminodecanoate
CID 10655700
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
potassium;hydride;methyl 3-(dodecanoylamino)propanoate
CID 174895394
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
7-amino-N-butylheptanamide
CID 24689519
6-amino-N-butylhexanamide
CID 14914743
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)dodecanamide
CID 13030555

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-aminohexanoylamino)propanoate?
The IUPAC name of methyl 3-(6-aminohexanoylamino)propanoate (CID 61252126) is methyl 3-(6-aminohexanoylamino)propanoate.
What is the SMILES notation for methyl 3-(6-aminohexanoylamino)propanoate?
The canonical SMILES for methyl 3-(6-aminohexanoylamino)propanoate is COC(=O)CCNC(=O)CCCCCN.
What is the InChIKey of methyl 3-(6-aminohexanoylamino)propanoate?
The InChIKey is ILSFBMAIRXCWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-10(14)6-8-12-9(13)5-3-2-4-7-11/h2-8,11H2,1H3,(H,12,13).
What are the key properties of methyl 3-(6-aminohexanoylamino)propanoate?
methyl 3-(6-aminohexanoylamino)propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-aminohexanoylamino)propanoate is sourced from PubChem (CID 61252126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).