4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

C9H16N4O — CID 15234234

IUPAC4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c10-4-1-2-9(14)12-5-3-8-6-11-7-13-8/h6-7H,1-5,10H2,(H,11,13)(H,12,14)
InChIKeyHXYUWNUJDSMLIE-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.19
Rot. Bonds6

About 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 15234234) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
PubChem CID15234234
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c10-4-1-2-9(14)12-5-3-8-6-11-7-13-8/h6-7H,1-5,10H2,(H,11,13)(H,12,14)
InChIKeyHXYUWNUJDSMLIE-UHFFFAOYSA-N
XLogP-0.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (CID 15234234) is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is NCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is HXYUWNUJDSMLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-1-2-9(14)12-5-3-8-6-11-7-13-8/h6-7H,1-5,10H2,(H,11,13)(H,12,14).
What are the key properties of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 196.25 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 15234234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).