2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid

C9H15N3O2 — CID 19918803

IUPAC2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(8(13)14,12(2)3)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyKAELYJVRCUGUPZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.36
Rot. Bonds4

About 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid

2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid (PubChem CID 19918803) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
PubChem CID19918803
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
SMILESCN(C)C(C)(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(8(13)14,12(2)3)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyKAELYJVRCUGUPZ-UHFFFAOYSA-N
XLogP0.36
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
CID 22855169
(2R)-2-(dimethylamino)-2-(1H-imidazol-5-ylmethyl)-3-oxopent-4-enoic acid
CID 25206846
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 173092560
CID 101407841
CID 101407841
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
[1-(1H-imidazol-5-yl)-2-methyl-3-oxobutan-2-yl]azanium
CID 23403341
(2R)-2-amino-2-(1H-imidazol-5-ylmethyl)-3-methylbutanoic acid;hydrochloride
CID 90679615
(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
CID 124638542
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
5-(2,2-dimethylbut-3-enyl)-1H-imidazole
CID 66705656
2-[fluoro(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 88514464
6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid
CID 70485343

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid (CID 19918803) is 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid is CN(C)C(C)(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The InChIKey is KAELYJVRCUGUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(8(13)14,12(2)3)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid?
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 19918803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).