(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid

C7H11N3O2 — CID 6993114

IUPAC(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
SMILESCn1cnc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyBRMWTNUJHUMWMS-ZCFIWIBFSA-N
MW169.18 g/mol
LogP-0.63
Rot. Bonds3

About (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid

(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid (PubChem CID 6993114) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
PubChem CID6993114
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
SMILESCn1cnc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyBRMWTNUJHUMWMS-ZCFIWIBFSA-N
XLogP-0.63
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
CID 71309270
(2S)-2-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 125425063
(2R)-2-amino-3-(1-ethylimidazol-4-yl)propanoic acid
CID 92852983
3-methyl-1-(1-methylimidazol-4-yl)but-3-en-2-amine
CID 142948129
2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 22352289
2,3-dimethyl-4-(1-methylimidazol-4-yl)butanoic acid
CID 90756906
(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
CID 57166193
2-amino-3-[1-(3-amino-2,3-dimethylbutan-2-yl)imidazol-4-yl]propanoic acid
CID 70948677
[3-amino-1-(1-methylimidazol-4-yl)-4-oxopentan-2-yl] acetate
CID 66680498
(3S)-3-(dimethylamino)-4-(1-methylimidazol-4-yl)butan-2-one
CID 58332246
(2S)-3-(1-methylimidazol-4-yl)-2-(trideuteriomethylamino)propanoic acid
CID 126739603
methyl (2S)-2-amino-4-(1-methylimidazol-4-yl)butanoate
CID 124706134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid (CID 6993114) is (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid is Cn1cnc(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid?
The InChIKey is BRMWTNUJHUMWMS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid?
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.63, 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-(1-methylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 6993114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).