(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

C14H17NO5 — CID 11242930

IUPAC(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-14(2)15(11(9-20-14)12(16)17)13(18)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyBDCQMEKOKHOPOQ-NSHDSACASA-N
MW279.29 g/mol
LogP1.84
Rot. Bonds3

About (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 11242930) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID11242930
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-14(2)15(11(9-20-14)12(16)17)13(18)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyBDCQMEKOKHOPOQ-NSHDSACASA-N
XLogP1.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.84
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-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (CID 11242930) is (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is CC1(C)OC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is BDCQMEKOKHOPOQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(2)15(11(9-20-14)12(16)17)13(18)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.84, 3 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-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 11242930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).