methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate

C11H18ClNO2 — CID 80710177

IUPACmethyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
SMILESC=C(Cl)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C11H18ClNO2/c1-9(12)7-13(8-11(14)15-2)10-5-3-4-6-10/h10H,1,3-8H2,2H3
InChIKeyCZOGCIQDQHQXQC-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate

methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate (PubChem CID 80710177) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
PubChem CID80710177
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Namemethyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
SMILESC=C(Cl)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C11H18ClNO2/c1-9(12)7-13(8-11(14)15-2)10-5-3-4-6-10/h10H,1,3-8H2,2H3
InChIKeyCZOGCIQDQHQXQC-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
2-[2-chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 62014468
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[[(1R,2R)-2-[bis(2-methoxy-2-oxoethyl)amino]cyclopropyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 90672418
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
CID 113330874
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
CID 112548457

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate?
The IUPAC name of methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate (CID 80710177) is methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate?
The canonical SMILES for methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate is C=C(Cl)CN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate?
The InChIKey is CZOGCIQDQHQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-9(12)7-13(8-11(14)15-2)10-5-3-4-6-10/h10H,1,3-8H2,2H3.
What are the key properties of methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate?
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate has a molecular weight of 231.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate is sourced from PubChem (CID 80710177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).