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

C12H19N7O3 — CID 174499457

IUPAC2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC(=O)C(N)Cc1cnc[nH]1.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H10N4O.C6H9N3O2/c7-5(6(8)11)1-4-2-9-3-10-4;7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11)
InChIKeyDJKNZYZKSKQJAA-UHFFFAOYSA-N
MW309.33 g/mol
LogP-1.87
Rot. Bonds6

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

2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 174499457) has the molecular formula C12H19N7O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID174499457
Molecular FormulaC12H19N7O3
Molecular Weight309.33 g/mol
Exact Mass309.15
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC(=O)C(N)Cc1cnc[nH]1.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H10N4O.C6H9N3O2/c7-5(6(8)11)1-4-2-9-3-10-4;7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11)
InChIKeyDJKNZYZKSKQJAA-UHFFFAOYSA-N
XLogP-1.87
TPSA189.79 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.33
LogP ≤ 5-1.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydron;chloride;hydrate
CID 74764184

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid (CID 174499457) is 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid is NC(=O)C(N)Cc1cnc[nH]1.NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is DJKNZYZKSKQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.C6H9N3O2/c7-5(6(8)11)1-4-2-9-3-10-4;7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid?
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 309.33 g/mol, XLogP of -1.87, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 174499457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).