methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate

C11H16ClNO3 — CID 70462096

IUPACmethyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
SMILESCOC(=O)C(=CC1CCCC1)NC(=O)CCl
InChIInChI=1S/C11H16ClNO3/c1-16-11(15)9(13-10(14)7-12)6-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14)
InChIKeyCJJHKWFEDHMEPZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.59
Rot. Bonds4

About methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate

methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate (PubChem CID 70462096) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
PubChem CID70462096
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
SMILESCOC(=O)C(=CC1CCCC1)NC(=O)CCl
InChIInChI=1S/C11H16ClNO3/c1-16-11(15)9(13-10(14)7-12)6-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14)
InChIKeyCJJHKWFEDHMEPZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
methyl 2,3-dicyclopentylprop-2-enoate
CID 57152498
methyl 2-[(2-chloroacetyl)amino]prop-2-enoate
CID 22251401
methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
CID 69182024
(E)-3-cyclopentyl-2-(methylamino)prop-2-enoic acid
CID 176706903
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
CID 100936979
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
methyl 3-cyclopropyl-2-fluoroprop-2-enoate
CID 67848628
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
CID 79335501
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
3-cyclohexyl-2-(methylamino)prop-2-enamide
CID 68635055
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate?
The IUPAC name of methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate (CID 70462096) is methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate.
What is the SMILES notation for methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate?
The canonical SMILES for methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate is COC(=O)C(=CC1CCCC1)NC(=O)CCl.
What is the InChIKey of methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate?
The InChIKey is CJJHKWFEDHMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-16-11(15)9(13-10(14)7-12)6-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate?
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate has a molecular weight of 245.71 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 70462096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).