2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid

C16H24N2O3 — CID 105346086

IUPAC2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
SMILESCN(C)CC1CC(O)CN1Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)10-14-8-15(19)11-18(14)9-13-5-3-12(4-6-13)7-16(20)21/h3-6,14-15,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyRWJIHCVQVKLSJG-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.81
Rot. Bonds6

About 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid

2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid (PubChem CID 105346086) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
PubChem CID105346086
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
SMILESCN(C)CC1CC(O)CN1Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)10-14-8-15(19)11-18(14)9-13-5-3-12(4-6-13)7-16(20)21/h3-6,14-15,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyRWJIHCVQVKLSJG-UHFFFAOYSA-N
XLogP0.81
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921
1-[(3-amino-4-bromophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 115557231
3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 102669705
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 66051302
1-[(3-amino-5-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 112646208
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
5-[(dimethylamino)methyl]-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 66052532
1-[(5-bromo-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051648
1-(1-benzothiophen-3-ylmethyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053015

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid (CID 105346086) is 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid is CN(C)CC1CC(O)CN1Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid?
The InChIKey is RWJIHCVQVKLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)10-14-8-15(19)11-18(14)9-13-5-3-12(4-6-13)7-16(20)21/h3-6,14-15,19H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid?
2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 105346086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).