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

C10H18N4O3 — CID 174912123

IUPAC2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide
SMILESCCCC(N)=O.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2.C4H9NO/c7-5(6(10)11)1-4-2-8-3-9-4;1-2-3-4(5)6/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2-3H2,1H3,(H2,5,6)
InChIKeyINTZDFBTHCONPJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.36
Rot. Bonds5

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

2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide (PubChem CID 174912123) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide
PubChem CID174912123
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide
SMILESCCCC(N)=O.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2.C4H9NO/c7-5(6(10)11)1-4-2-8-3-9-4;1-2-3-4(5)6/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2-3H2,1H3,(H2,5,6)
InChIKeyINTZDFBTHCONPJ-UHFFFAOYSA-N
XLogP-0.36
TPSA135.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide (CID 174912123) is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide is CCCC(N)=O.NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide?
The InChIKey is INTZDFBTHCONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.C4H9NO/c7-5(6(10)11)1-4-2-8-3-9-4;1-2-3-4(5)6/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2-3H2,1H3,(H2,5,6).
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide?
2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide has a molecular weight of 242.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butanamide is sourced from PubChem (CID 174912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).