methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate

C13H21NO2 — CID 112548457

IUPACmethyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
SMILESC#CCCCN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H21NO2/c1-3-4-7-10-14(11-13(15)16-2)12-8-5-6-9-12/h1,12H,4-11H2,2H3
InChIKeyMBBJFZNEAQYNAW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds6

About methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate

methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate (PubChem CID 112548457) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
PubChem CID112548457
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namemethyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
SMILESC#CCCCN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H21NO2/c1-3-4-7-10-14(11-13(15)16-2)12-8-5-6-9-12/h1,12H,4-11H2,2H3
InChIKeyMBBJFZNEAQYNAW-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
CID 113330874
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
2-[3-cyanopropyl(cyclopentyl)amino]acetamide
CID 55028706
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate (CID 112548457) is methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate is C#CCCCN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate?
The InChIKey is MBBJFZNEAQYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-7-10-14(11-13(15)16-2)12-8-5-6-9-12/h1,12H,4-11H2,2H3.
What are the key properties of methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate?
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate has a molecular weight of 223.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate is sourced from PubChem (CID 112548457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).