methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate

C8H13N3O2 — CID 165494326

IUPACmethyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1nccn1C
InChIInChI=1S/C8H13N3O2/c1-11-4-3-10-8(11)6(9)5-7(12)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1
InChIKeySXPXOJXSLMTNNQ-ZCFIWIBFSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds3

About methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate

methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate (PubChem CID 165494326) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
PubChem CID165494326
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
SMILESCOC(=O)C[C@@H](N)c1nccn1C
InChIInChI=1S/C8H13N3O2/c1-11-4-3-10-8(11)6(9)5-7(12)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1
InChIKeySXPXOJXSLMTNNQ-ZCFIWIBFSA-N
XLogP-0.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dihydroxy-4-(1-methylimidazol-2-yl)butanoate
CID 171894999
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
CID 172745142
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
methyl (4S)-4-amino-5-[(1-methylimidazol-2-yl)amino]-5-oxopentanoate
CID 57173939
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate (CID 165494326) is methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate is COC(=O)C[C@@H](N)c1nccn1C.
What is the InChIKey of methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate?
The InChIKey is SXPXOJXSLMTNNQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-4-3-10-8(11)6(9)5-7(12)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate?
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate is sourced from PubChem (CID 165494326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).