methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate

C15H28N2O3 — CID 60947713

IUPACmethyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CNC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)11-17(9-8-15(19)20-3)14(18)10-16-13-6-4-5-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyVMVOHTRGLLQVIZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds8

About methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate

methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate (PubChem CID 60947713) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
PubChem CID60947713
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CNC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)11-17(9-8-15(19)20-3)14(18)10-16-13-6-4-5-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyVMVOHTRGLLQVIZ-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54870876
N-(2-amino-2-oxoethyl)-2-(cyclopentylamino)-N-(2-methylpropyl)acetamide
CID 60962630
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
CID 54871719
methyl 3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 55891032
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
CID 62209865
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
2-(cyclohexylamino)-N,N-dipropylacetamide
CID 54816383
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate (CID 60947713) is methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)CNC1CCCC1.
What is the InChIKey of methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate?
The InChIKey is VMVOHTRGLLQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)11-17(9-8-15(19)20-3)14(18)10-16-13-6-4-5-7-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate?
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 60947713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).