2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid

C14H20N2O2 — CID 126604086

IUPAC2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c17-14(18)10-15-9-12-4-3-5-13(8-12)11-16-6-1-2-7-16/h3-5,8,15H,1-2,6-7,9-11H2,(H,17,18)
InChIKeyKGZXBRFSAWXESN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds6

About 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid

2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid (PubChem CID 126604086) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
PubChem CID126604086
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c17-14(18)10-15-9-12-4-3-5-13(8-12)11-16-6-1-2-7-16/h3-5,8,15H,1-2,6-7,9-11H2,(H,17,18)
InChIKeyKGZXBRFSAWXESN-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
4,4,4-trifluoro-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 91780010
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
2-(4-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119847246
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941144

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid (CID 126604086) is 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid is O=C(O)CNCc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid?
The InChIKey is KGZXBRFSAWXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)10-15-9-12-4-3-5-13(8-12)11-16-6-1-2-7-16/h3-5,8,15H,1-2,6-7,9-11H2,(H,17,18).
What are the key properties of 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid?
2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid is sourced from PubChem (CID 126604086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).