(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid

C14H25NO5 — CID 59065718

IUPAC(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)[C@H]1C(C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)9-10(11(16)17)19-14(6,7)15(9)12(18)20-13(3,4)5/h8-10H,1-7H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyGGMGVQHIIFXFQR-RGURZIINSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds2

About (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid

(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 59065718) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid
PubChem CID59065718
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)[C@H]1C(C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)9-10(11(16)17)19-14(6,7)15(9)12(18)20-13(3,4)5/h8-10H,1-7H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyGGMGVQHIIFXFQR-RGURZIINSA-N
XLogP2.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid (CID 59065718) is (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid is CC(C)[C@H]1C(C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is GGMGVQHIIFXFQR-RGURZIINSA-N. The full InChI is InChI=1S/C14H25NO5/c1-8(2)9-10(11(16)17)19-14(6,7)15(9)12(18)20-13(3,4)5/h8-10H,1-7H3,(H,16,17)/t9-,10?/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid?
(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 59065718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).