3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid

C11H18N2O2 — CID 116907990

IUPAC3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESCN(C)C(c1ccc[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,10(14)15)9(13(3)4)8-6-5-7-12-8/h5-7,9,12H,1-4H3,(H,14,15)
InChIKeyMWLHYXPRARQOIW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.73
Rot. Bonds4

About 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid

3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid (PubChem CID 116907990) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
PubChem CID116907990
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESCN(C)C(c1ccc[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,10(14)15)9(13(3)4)8-6-5-7-12-8/h5-7,9,12H,1-4H3,(H,14,15)
InChIKeyMWLHYXPRARQOIW-UHFFFAOYSA-N
XLogP1.73
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116910428
(E)-4-(dimethylamino)-4-(1H-pyrrol-2-yl)but-2-enoic acid
CID 116910754
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
CID 115127877
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
1,1-bis(1H-pyrrol-2-yl)butan-2-one
CID 56629782
3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
CID 63748383
1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 130621343
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748788
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
CID 84748122

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid (CID 116907990) is 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid is CN(C)C(c1ccc[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid?
The InChIKey is MWLHYXPRARQOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,10(14)15)9(13(3)4)8-6-5-7-12-8/h5-7,9,12H,1-4H3,(H,14,15).
What are the key properties of 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid?
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 116907990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).