methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate

C13H24N2O3 — CID 54871719

IUPACmethyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-8-15(10-13(17)18-2)12(16)9-14-11-6-4-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyHCSIFCFHVKAMFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds7

About methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate

methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate (PubChem CID 54871719) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
PubChem CID54871719
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-8-15(10-13(17)18-2)12(16)9-14-11-6-4-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyHCSIFCFHVKAMFN-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-N,N-dipropylacetamide
CID 54816383
2-(cyclopentylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 54916119
2-(cyclopentylamino)-N-ethyl-N-propylacetamide
CID 60848831
2-(cyclopentylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60944875
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809865
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
2-(cyclopentylamino)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54870876
2-(cyclopentylamino)-N-methyl-N-pentylacetamide
CID 60847426
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate (CID 54871719) is methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate is CCCN(CC(=O)OC)C(=O)CNC1CCCC1.
What is the InChIKey of methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate?
The InChIKey is HCSIFCFHVKAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-8-15(10-13(17)18-2)12(16)9-14-11-6-4-5-7-11/h11,14H,3-10H2,1-2H3.
What are the key properties of methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate?
methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate is sourced from PubChem (CID 54871719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).