5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid

C9H15N3O2 — CID 22319346

IUPAC5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid
SMILESNCCCC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyBJQWDKXNACRDDN-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.39
Rot. Bonds6

About 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid

5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid (PubChem CID 22319346) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid
PubChem CID22319346
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid
SMILESNCCCC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyBJQWDKXNACRDDN-UHFFFAOYSA-N
XLogP0.39
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Histidine
CID 6274
Carnosine
CID 439224
Histidine Monohydrochloride
CID 66091
1H-Imidazole-5-propanoic acid
CID 70630
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
D-Histidine
CID 71083
DL-histidine
CID 773
N-Acetyl-L-histidine
CID 75619
UK 396082
CID 11241908
Beta-Alanylhistidine
CID 9369
Homocarnosine
CID 10243361
L-Histidine, methyl ester
CID 92893

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid?
The IUPAC name of 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid (CID 22319346) is 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid.
What is the SMILES notation for 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid?
The canonical SMILES for 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid is NCCCC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid?
The InChIKey is BJQWDKXNACRDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid?
5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1H-imidazol-5-ylmethyl)pentanoic acid is sourced from PubChem (CID 22319346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).