(2S)-2-(1H-imidazol-5-ylamino)propanoic acid

C6H9N3O2 — CID 45086701

IUPAC(2S)-2-(1H-imidazol-5-ylamino)propanoic acid
SMILESC[C@H](Nc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-4(6(10)11)9-5-2-7-3-8-5/h2-4,9H,1H3,(H,7,8)(H,10,11)/t4-/m0/s1
InChIKeyUWVASQFNBWGEJU-BYPYZUCNSA-N
MW155.16 g/mol
LogP0.29
Rot. Bonds3

About (2S)-2-(1H-imidazol-5-ylamino)propanoic acid

(2S)-2-(1H-imidazol-5-ylamino)propanoic acid (PubChem CID 45086701) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-5-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-5-ylamino)propanoic acid
PubChem CID45086701
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2S)-2-(1H-imidazol-5-ylamino)propanoic acid
SMILESC[C@H](Nc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-4(6(10)11)9-5-2-7-3-8-5/h2-4,9H,1H3,(H,7,8)(H,10,11)/t4-/m0/s1
InChIKeyUWVASQFNBWGEJU-BYPYZUCNSA-N
XLogP0.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-5-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-imidazol-5-ylamino)propanoic acid (CID 45086701) is (2S)-2-(1H-imidazol-5-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-imidazol-5-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-imidazol-5-ylamino)propanoic acid is C[C@H](Nc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-imidazol-5-ylamino)propanoic acid?
The InChIKey is UWVASQFNBWGEJU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(6(10)11)9-5-2-7-3-8-5/h2-4,9H,1H3,(H,7,8)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-5-ylamino)propanoic acid?
(2S)-2-(1H-imidazol-5-ylamino)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-5-ylamino)propanoic acid is sourced from PubChem (CID 45086701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).