(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid

C6H10N4O2 — CID 12071049

IUPAC(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid
SMILESNc1ncc(C[C@H](N)C(=O)O)[nH]1
InChIInChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKeyUYEGXSNFZXWSDV-BYPYZUCNSA-N
MW170.17 g/mol
LogP-1.05
Rot. Bonds3

About (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid

(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid (PubChem CID 12071049) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid
PubChem CID12071049
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid
SMILESNc1ncc(C[C@H](N)C(=O)O)[nH]1
InChIInChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKeyUYEGXSNFZXWSDV-BYPYZUCNSA-N
XLogP-1.05
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid (CID 12071049) is (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid is Nc1ncc(C[C@H](N)C(=O)O)[nH]1.
What is the InChIKey of (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid?
The InChIKey is UYEGXSNFZXWSDV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid?
(2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-amino-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 12071049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).