(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C14H20N2O3 — CID 111427679

IUPAC(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-4-11(5-7-13)9-15-14(18)16-8-2-3-12(16)10-17/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOUZFLMNWYHYPRR-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111427679) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID111427679
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-4-11(5-7-13)9-15-14(18)16-8-2-3-12(16)10-17/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOUZFLMNWYHYPRR-LBPRGKRZSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 111427679) is (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC[C@H]2CO)cc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is OUZFLMNWYHYPRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-6-4-11(5-7-13)9-15-14(18)16-8-2-3-12(16)10-17/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).