2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid

C14H20N2O3 — CID 90156268

IUPAC2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid
SMILESCOCCN(C(=O)O)[C@@H]1CNCC1c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-19-8-7-16(14(17)18)13-10-15-9-12(13)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKJCQZLZZOTUMFS-ZGTCLIOFSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds5

About 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid

2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid (PubChem CID 90156268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid
PubChem CID90156268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid
SMILESCOCCN(C(=O)O)[C@@H]1CNCC1c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-19-8-7-16(14(17)18)13-10-15-9-12(13)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKJCQZLZZOTUMFS-ZGTCLIOFSA-N
XLogP1.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid?
The IUPAC name of 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid (CID 90156268) is 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid?
The canonical SMILES for 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid is COCCN(C(=O)O)[C@@H]1CNCC1c1ccccc1.
What is the InChIKey of 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid?
The InChIKey is KJCQZLZZOTUMFS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-8-7-16(14(17)18)13-10-15-9-12(13)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid?
2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid has a molecular weight of 264.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(3S)-4-phenylpyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 90156268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).