2-[3-[(dimethylamino)methyl]anilino]propanoic acid

C12H18N2O2 — CID 66173910

IUPAC2-[3-[(dimethylamino)methyl]anilino]propanoic acid
SMILESCC(Nc1cccc(CN(C)C)c1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-9(12(15)16)13-11-6-4-5-10(7-11)8-14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyRLRZYTSPWDVSEC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds5

About 2-[3-[(dimethylamino)methyl]anilino]propanoic acid

2-[3-[(dimethylamino)methyl]anilino]propanoic acid (PubChem CID 66173910) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]anilino]propanoic acid.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]anilino]propanoic acid
PubChem CID66173910
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[3-[(dimethylamino)methyl]anilino]propanoic acid
SMILESCC(Nc1cccc(CN(C)C)c1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-9(12(15)16)13-11-6-4-5-10(7-11)8-14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyRLRZYTSPWDVSEC-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115918712
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
2-(3-aminoanilino)propanoic acid
CID 23338715
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]anilino]propanoic acid?
The IUPAC name of 2-[3-[(dimethylamino)methyl]anilino]propanoic acid (CID 66173910) is 2-[3-[(dimethylamino)methyl]anilino]propanoic acid.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]anilino]propanoic acid?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]anilino]propanoic acid is CC(Nc1cccc(CN(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]anilino]propanoic acid?
The InChIKey is RLRZYTSPWDVSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(12(15)16)13-11-6-4-5-10(7-11)8-14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-[(dimethylamino)methyl]anilino]propanoic acid?
2-[3-[(dimethylamino)methyl]anilino]propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]anilino]propanoic acid is sourced from PubChem (CID 66173910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).