methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate

C10H17N3O2 — CID 22855169

IUPACmethyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
SMILESCOC(=O)[C@](C)(Cc1cnc[nH]1)N(C)C
InChIInChI=1S/C10H17N3O2/c1-10(13(2)3,9(14)15-4)5-8-6-11-7-12-8/h6-7H,5H2,1-4H3,(H,11,12)/t10-/m0/s1
InChIKeyPCMHLEGRCDGYRZ-JTQLQIEISA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds4

About methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate

methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate (PubChem CID 22855169) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
PubChem CID22855169
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
SMILESCOC(=O)[C@](C)(Cc1cnc[nH]1)N(C)C
InChIInChI=1S/C10H17N3O2/c1-10(13(2)3,9(14)15-4)5-8-6-11-7-12-8/h6-7H,5H2,1-4H3,(H,11,12)/t10-/m0/s1
InChIKeyPCMHLEGRCDGYRZ-JTQLQIEISA-N
XLogP0.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
methyl 2-(1H-imidazol-5-ylmethylamino)-2-methylpropanoate
CID 62761936
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-(dimethylamino)-2-(1H-imidazol-5-ylmethyl)-3-oxopent-4-enoic acid
CID 25206846
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
methyl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate;naphthalene-1,5-disulfonic acid
CID 86738562
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 173092560
methyl (2S)-2-(dimethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876560
5-(2,2-dimethylbut-3-enyl)-1H-imidazole
CID 66705656
CID 101407841
CID 101407841
(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
CID 124638542

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate?
The IUPAC name of methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate (CID 22855169) is methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate?
The canonical SMILES for methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate is COC(=O)[C@](C)(Cc1cnc[nH]1)N(C)C.
What is the InChIKey of methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate?
The InChIKey is PCMHLEGRCDGYRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(13(2)3,9(14)15-4)5-8-6-11-7-12-8/h6-7H,5H2,1-4H3,(H,11,12)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate?
methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate has a molecular weight of 211.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate is sourced from PubChem (CID 22855169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).