(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid

C8H15N3O2 — CID 130792830

IUPAC(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid
SMILESCN1C=NC[C@]1(C)C[C@@H](N)C(=O)O
InChIInChI=1S/C8H15N3O2/c1-8(3-6(9)7(12)13)4-10-5-11(8)2/h5-6H,3-4,9H2,1-2H3,(H,12,13)/t6-,8+/m1/s1
InChIKeyQHAZDZZOZCLITD-SVRRBLITSA-N
MW185.23 g/mol
LogP-0.48
Rot. Bonds3

About (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid

(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid (PubChem CID 130792830) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid
PubChem CID130792830
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid
SMILESCN1C=NC[C@]1(C)C[C@@H](N)C(=O)O
InChIInChI=1S/C8H15N3O2/c1-8(3-6(9)7(12)13)4-10-5-11(8)2/h5-6H,3-4,9H2,1-2H3,(H,12,13)/t6-,8+/m1/s1
InChIKeyQHAZDZZOZCLITD-SVRRBLITSA-N
XLogP-0.48
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3-[3-(2-aminoethyl)diazirin-3-yl]propanoic acid
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2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid
CID 130806109
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
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(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid
CID 122233897
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
2-amino-3-(1-methyldiazirin-3-yl)propanoic acid
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2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
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2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
(2S)-2-amino-3-(3-ethynyldiazirin-3-yl)propanoic acid
CID 146587033
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid (CID 130792830) is (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid is CN1C=NC[C@]1(C)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid?
The InChIKey is QHAZDZZOZCLITD-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(3-6(9)7(12)13)4-10-5-11(8)2/h5-6H,3-4,9H2,1-2H3,(H,12,13)/t6-,8+/m1/s1.
What are the key properties of (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid?
(2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid has a molecular weight of 185.23 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(5S)-1,5-dimethyl-4H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 130792830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).