1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid

C14H21NO5 — CID 10379082

IUPAC1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H21NO5/c1-9(2)10-8-20-13(19)15(10)11(16)7-14(12(17)18)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyQQHWDJKNVMVDEI-SNVBAGLBSA-N
MW283.32 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 10379082) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid
PubChem CID10379082
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H21NO5/c1-9(2)10-8-20-13(19)15(10)11(16)7-14(12(17)18)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyQQHWDJKNVMVDEI-SNVBAGLBSA-N
XLogP2.02
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid (CID 10379082) is 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid is CC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QQHWDJKNVMVDEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9(2)10-8-20-13(19)15(10)11(16)7-14(12(17)18)5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10379082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).