2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid

C14H18N2O3 — CID 168658961

IUPAC2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
SMILESNCC1CC(=O)N(C(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-8-11-7-13(17)16(9-11)12(14(18)19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19)
InChIKeyHGKTYQCJLCOTNI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.49
Rot. Bonds5

About 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid (PubChem CID 168658961) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
PubChem CID168658961
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
SMILESNCC1CC(=O)N(C(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-8-11-7-13(17)16(9-11)12(14(18)19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19)
InChIKeyHGKTYQCJLCOTNI-UHFFFAOYSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(3-hydroxyphenyl)propanoic acid
CID 168506754
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 168698995
methyl (2R)-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168503334
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168503431
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168658950
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674933
(2S)-3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675004
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168658891
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168674837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid (CID 168658961) is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid is NCC1CC(=O)N(C(Cc2ccccc2)C(=O)O)C1.
What is the InChIKey of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
The InChIKey is HGKTYQCJLCOTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-8-11-7-13(17)16(9-11)12(14(18)19)6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid?
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 168658961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).