(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid

C8H11N3O2 — CID 57166193

IUPAC(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
SMILESC=Cn1cnc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C8H11N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h2,4-5,7H,1,3,9H2,(H,12,13)/t7-/m0/s1
InChIKeyNFUCSPWUBFKNLW-ZETCQYMHSA-N
MW181.19 g/mol
LogP-0.06
Rot. Bonds4

About (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid

(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid (PubChem CID 57166193) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
PubChem CID57166193
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
SMILESC=Cn1cnc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C8H11N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h2,4-5,7H,1,3,9H2,(H,12,13)/t7-/m0/s1
InChIKeyNFUCSPWUBFKNLW-ZETCQYMHSA-N
XLogP-0.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
(2R)-2-amino-3-(1-ethylimidazol-4-yl)propanoic acid
CID 92852983
(2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
CID 71309270
(2S)-2-amino-5-[4-[(2S)-2-amino-2-carboxyethyl]imidazol-1-yl]-5-(diaminomethylideneamino)pentanoic acid
CID 175044198
(1-ethenylimidazol-4-yl)methanol
CID 19746928
2-amino-3-[1-(3-amino-2,3-dimethylbutan-2-yl)imidazol-4-yl]propanoic acid
CID 70948677
2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 22352289
(2S)-2-amino-3-[1-[(2S)-2,6-diaminohexanoyl]imidazol-4-yl]propanoic acid
CID 57301212
(2S)-2-amino-3-(1-chloroimidazol-4-yl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 69325258
(2S)-2-amino-3-[1-(hexanoylcarbamoyl)imidazol-4-yl]propanoic acid
CID 67901520
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-prop-2-enylpropanamide
CID 119672782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid (CID 57166193) is (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid is C=Cn1cnc(C[C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid?
The InChIKey is NFUCSPWUBFKNLW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h2,4-5,7H,1,3,9H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid?
(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 57166193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).