2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid

C13H21NO5 — CID 118343251

IUPAC2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H21NO5/c1-8(2)9-7-19-12(18)14(9)10(15)5-6-13(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/t9-/m1/s1
InChIKeyFFCCCQKABWCISK-SECBINFHSA-N
MW271.31 g/mol
LogP1.88
Rot. Bonds5

About 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid

2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid (PubChem CID 118343251) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
PubChem CID118343251
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H21NO5/c1-8(2)9-7-19-12(18)14(9)10(15)5-6-13(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/t9-/m1/s1
InChIKeyFFCCCQKABWCISK-SECBINFHSA-N
XLogP1.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid (CID 118343251) is 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid is CC(C)[C@H]1COC(=O)N1C(=O)CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The InChIKey is FFCCCQKABWCISK-SECBINFHSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8(2)9-7-19-12(18)14(9)10(15)5-6-13(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid has a molecular weight of 271.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid is sourced from PubChem (CID 118343251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).