methyl 2-[6-aminohexanoyl(propyl)amino]acetate

C12H24N2O3 — CID 54871850

IUPACmethyl 2-[6-aminohexanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCCCCN
InChIInChI=1S/C12H24N2O3/c1-3-9-14(10-12(16)17-2)11(15)7-5-4-6-8-13/h3-10,13H2,1-2H3
InChIKeyVRPRXWAADORHAJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.92
Rot. Bonds9

About methyl 2-[6-aminohexanoyl(propyl)amino]acetate

methyl 2-[6-aminohexanoyl(propyl)amino]acetate (PubChem CID 54871850) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[6-aminohexanoyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[6-aminohexanoyl(propyl)amino]acetate
PubChem CID54871850
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[6-aminohexanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCCCCN
InChIInChI=1S/C12H24N2O3/c1-3-9-14(10-12(16)17-2)11(15)7-5-4-6-8-13/h3-10,13H2,1-2H3
InChIKeyVRPRXWAADORHAJ-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
4-amino-N,N-dipropylbutanamide
CID 12835718
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
CID 61006881
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
methyl 10-aminodecanoate
CID 10655700
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
CID 167560323
N,N-dipropylnonadecanamide
CID 12960009
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-aminohexanoyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[6-aminohexanoyl(propyl)amino]acetate (CID 54871850) is methyl 2-[6-aminohexanoyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[6-aminohexanoyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[6-aminohexanoyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)CCCCCN.
What is the InChIKey of methyl 2-[6-aminohexanoyl(propyl)amino]acetate?
The InChIKey is VRPRXWAADORHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-9-14(10-12(16)17-2)11(15)7-5-4-6-8-13/h3-10,13H2,1-2H3.
What are the key properties of methyl 2-[6-aminohexanoyl(propyl)amino]acetate?
methyl 2-[6-aminohexanoyl(propyl)amino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-aminohexanoyl(propyl)amino]acetate is sourced from PubChem (CID 54871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).