phenyl 3-amino-4-methylpyrrolidine-1-carboxylate

C12H16N2O2 — CID 103576204

IUPACphenyl 3-amino-4-methylpyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)Oc2ccccc2)CC1N
InChIInChI=1S/C12H16N2O2/c1-9-7-14(8-11(9)13)12(15)16-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyDWQOLBYGUOYODW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds1

About phenyl 3-amino-4-methylpyrrolidine-1-carboxylate

phenyl 3-amino-4-methylpyrrolidine-1-carboxylate (PubChem CID 103576204) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is phenyl 3-amino-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-amino-4-methylpyrrolidine-1-carboxylate
PubChem CID103576204
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namephenyl 3-amino-4-methylpyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)Oc2ccccc2)CC1N
InChIInChI=1S/C12H16N2O2/c1-9-7-14(8-11(9)13)12(15)16-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyDWQOLBYGUOYODW-UHFFFAOYSA-N
XLogP1.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 11196412
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150
phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
CID 98007482
(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
CID 83822781
phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 80552619

Frequently Asked Questions

What is the IUPAC name of phenyl 3-amino-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of phenyl 3-amino-4-methylpyrrolidine-1-carboxylate (CID 103576204) is phenyl 3-amino-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-amino-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 3-amino-4-methylpyrrolidine-1-carboxylate is CC1CN(C(=O)Oc2ccccc2)CC1N.
What is the InChIKey of phenyl 3-amino-4-methylpyrrolidine-1-carboxylate?
The InChIKey is DWQOLBYGUOYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-14(8-11(9)13)12(15)16-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3.
What are the key properties of phenyl 3-amino-4-methylpyrrolidine-1-carboxylate?
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-amino-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 103576204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).