methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate

C9H15NO4 — CID 176657201

IUPACmethyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CN(CC2CC2)[C@@H](O)O1
InChIInChI=1S/C9H15NO4/c1-13-8(11)7-5-10(9(12)14-7)4-6-2-3-6/h6-7,9,12H,2-5H2,1H3/t7?,9-/m0/s1
InChIKeyNOFCGGYHHZFZAJ-NETXQHHPSA-N
MW201.22 g/mol
LogP-0.45
Rot. Bonds3

About methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate

methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate (PubChem CID 176657201) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate
PubChem CID176657201
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1CN(CC2CC2)[C@@H](O)O1
InChIInChI=1S/C9H15NO4/c1-13-8(11)7-5-10(9(12)14-7)4-6-2-3-6/h6-7,9,12H,2-5H2,1H3/t7?,9-/m0/s1
InChIKeyNOFCGGYHHZFZAJ-NETXQHHPSA-N
XLogP-0.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate?
The IUPAC name of methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate (CID 176657201) is methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate is COC(=O)C1CN(CC2CC2)[C@@H](O)O1.
What is the InChIKey of methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate?
The InChIKey is NOFCGGYHHZFZAJ-NETXQHHPSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)7-5-10(9(12)14-7)4-6-2-3-6/h6-7,9,12H,2-5H2,1H3/t7?,9-/m0/s1.
What are the key properties of methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate?
methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 176657201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).