phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate

C12H16N2O2 — CID 63765586

IUPACphenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESNCC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-9-10-5-4-8-14(10)12(15)16-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2
InChIKeyDGUSNSBQLSSZCM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.61
Rot. Bonds2

About phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate

phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate (PubChem CID 63765586) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
PubChem CID63765586
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namephenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESNCC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-9-10-5-4-8-14(10)12(15)16-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2
InChIKeyDGUSNSBQLSSZCM-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate (CID 63765586) is phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate is NCC1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is DGUSNSBQLSSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-9-10-5-4-8-14(10)12(15)16-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2.
What are the key properties of phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 63765586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).