[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C17H20ClNO4 — CID 8589546

IUPAC[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C17H20ClNO4/c18-13-5-3-12(4-6-13)17(7-8-17)16(21)23-11-15(20)19-10-14-2-1-9-22-14/h3-6,14H,1-2,7-11H2,(H,19,20)/t14-/m1/s1
InChIKeyBUXPPVOUOKPUHP-CQSZACIVSA-N
MW337.80 g/mol
LogP2.21
Rot. Bonds6

About [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 8589546) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID8589546
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C17H20ClNO4/c18-13-5-3-12(4-6-13)17(7-8-17)16(21)23-11-15(20)19-10-14-2-1-9-22-14/h3-6,14H,1-2,7-11H2,(H,19,20)/t14-/m1/s1
InChIKeyBUXPPVOUOKPUHP-CQSZACIVSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566979
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866432
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2,3,6-trichlorobenzoate
CID 2362130
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589310
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7440355
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,3-dichlorobenzoate
CID 2487426
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 8589546) is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is BUXPPVOUOKPUHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClNO4/c18-13-5-3-12(4-6-13)17(7-8-17)16(21)23-11-15(20)19-10-14-2-1-9-22-14/h3-6,14H,1-2,7-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 337.80 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 8589546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).