phenyl 3-aminopyrrolidine-1-carboxylate

C11H14N2O2 — CID 62067214

IUPACphenyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C11H14N2O2/c12-9-6-7-13(8-9)11(14)15-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyNESVRXWEFJIFBC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.22
Rot. Bonds1

About phenyl 3-aminopyrrolidine-1-carboxylate

phenyl 3-aminopyrrolidine-1-carboxylate (PubChem CID 62067214) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is phenyl 3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-aminopyrrolidine-1-carboxylate
PubChem CID62067214
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namephenyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C11H14N2O2/c12-9-6-7-13(8-9)11(14)15-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyNESVRXWEFJIFBC-UHFFFAOYSA-N
XLogP1.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 80552619
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452
(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
[4-[4-(hydroxymethyl)phenoxy]phenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325528
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 61132158

Frequently Asked Questions

What is the IUPAC name of phenyl 3-aminopyrrolidine-1-carboxylate?
The IUPAC name of phenyl 3-aminopyrrolidine-1-carboxylate (CID 62067214) is phenyl 3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 3-aminopyrrolidine-1-carboxylate is NC1CCN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl 3-aminopyrrolidine-1-carboxylate?
The InChIKey is NESVRXWEFJIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-6-7-13(8-9)11(14)15-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2.
What are the key properties of phenyl 3-aminopyrrolidine-1-carboxylate?
phenyl 3-aminopyrrolidine-1-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 62067214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).