2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid

C13H18N2O3 — CID 117004204

IUPAC2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
SMILESCOc1cccc(N2CCC(NCC(=O)O)C2)c1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-3-11(7-12)15-6-5-10(9-15)14-8-13(16)17/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyHMEDXJQZWOOWSQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid

2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid (PubChem CID 117004204) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
PubChem CID117004204
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
SMILESCOc1cccc(N2CCC(NCC(=O)O)C2)c1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-3-11(7-12)15-6-5-10(9-15)14-8-13(16)17/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyHMEDXJQZWOOWSQ-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazole-3-carboxylic acid
CID 154746422
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004183
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
(2S,5R)-5-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120799629
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid (CID 117004204) is 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid is COc1cccc(N2CCC(NCC(=O)O)C2)c1.
What is the InChIKey of 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is HMEDXJQZWOOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-4-2-3-11(7-12)15-6-5-10(9-15)14-8-13(16)17/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid?
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 117004204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).