benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride

C14H18ClNO3 — CID 70023874

IUPACbenzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
SMILESCl.N[C@H]1CCC(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO3.ClH/c15-12-7-6-11(14(12)17)8-13(16)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11?,12-;/m0./s1
InChIKeyIJAJWBNEFNMYKD-MMFRDWCLSA-N
MW283.75 g/mol
LogP1.85
Rot. Bonds4

About benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride

benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride (PubChem CID 70023874) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
PubChem CID70023874
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namebenzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
SMILESCl.N[C@H]1CCC(CC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO3.ClH/c15-12-7-6-11(14(12)17)8-13(16)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11?,12-;/m0./s1
InChIKeyIJAJWBNEFNMYKD-MMFRDWCLSA-N
XLogP1.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134956776
CID 134956776

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride?
The IUPAC name of benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride (CID 70023874) is benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride.
What is the SMILES notation for benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride?
The canonical SMILES for benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride is Cl.N[C@H]1CCC(CC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride?
The InChIKey is IJAJWBNEFNMYKD-MMFRDWCLSA-N. The full InChI is InChI=1S/C14H17NO3.ClH/c15-12-7-6-11(14(12)17)8-13(16)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11?,12-;/m0./s1.
What are the key properties of benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride?
benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride has a molecular weight of 283.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride is sourced from PubChem (CID 70023874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).