phenyl (2S)-2-methoxypyrrolidine-1-carboxylate

C12H15NO3 — CID 129388318

IUPACphenyl (2S)-2-methoxypyrrolidine-1-carboxylate
SMILESCO[C@H]1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-11-8-5-9-13(11)12(14)16-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyJRMHDPZZHCRQIJ-NSHDSACASA-N
MW221.26 g/mol
LogP2.25
Rot. Bonds2

About phenyl (2S)-2-methoxypyrrolidine-1-carboxylate

phenyl (2S)-2-methoxypyrrolidine-1-carboxylate (PubChem CID 129388318) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is phenyl (2S)-2-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S)-2-methoxypyrrolidine-1-carboxylate
PubChem CID129388318
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namephenyl (2S)-2-methoxypyrrolidine-1-carboxylate
SMILESCO[C@H]1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-11-8-5-9-13(11)12(14)16-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyJRMHDPZZHCRQIJ-NSHDSACASA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809
phenyl 2-(2-phenylsulfanylpropan-2-yl)pyrrolidine-1-carboxylate
CID 11313852
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-methoxypyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S)-2-methoxypyrrolidine-1-carboxylate (CID 129388318) is phenyl (2S)-2-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S)-2-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S)-2-methoxypyrrolidine-1-carboxylate is CO[C@H]1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-2-methoxypyrrolidine-1-carboxylate?
The InChIKey is JRMHDPZZHCRQIJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11-8-5-9-13(11)12(14)16-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of phenyl (2S)-2-methoxypyrrolidine-1-carboxylate?
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 129388318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).