5-imidazol-1-yl-2-(methylamino)pentanoic acid

C9H15N3O2 — CID 174175752

IUPAC5-imidazol-1-yl-2-(methylamino)pentanoic acid
SMILESCNC(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-10-8(9(13)14)3-2-5-12-6-4-11-7-12/h4,6-8,10H,2-3,5H2,1H3,(H,13,14)
InChIKeyGTLUTUDGNGCWIY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds6

About 5-imidazol-1-yl-2-(methylamino)pentanoic acid

5-imidazol-1-yl-2-(methylamino)pentanoic acid (PubChem CID 174175752) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-imidazol-1-yl-2-(methylamino)pentanoic acid
PubChem CID174175752
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-imidazol-1-yl-2-(methylamino)pentanoic acid
SMILESCNC(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-10-8(9(13)14)3-2-5-12-6-4-11-7-12/h4,6-8,10H,2-3,5H2,1H3,(H,13,14)
InChIKeyGTLUTUDGNGCWIY-UHFFFAOYSA-N
XLogP0.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methyloctyl)imidazole
CID 59001100
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539
2-chloro-8-imidazol-1-yloctanoic acid;hydrochloride
CID 12870510
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoic acid
CID 7530166
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937
carbonic acid;1-dodecylimidazole
CID 175596781
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
2-(hydroxymethyl)-8-imidazol-1-yloctanoic acid;hydrochloride
CID 12870433

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-imidazol-1-yl-2-(methylamino)pentanoic acid (CID 174175752) is 5-imidazol-1-yl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-imidazol-1-yl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-imidazol-1-yl-2-(methylamino)pentanoic acid is CNC(CCCn1ccnc1)C(=O)O.
What is the InChIKey of 5-imidazol-1-yl-2-(methylamino)pentanoic acid?
The InChIKey is GTLUTUDGNGCWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8(9(13)14)3-2-5-12-6-4-11-7-12/h4,6-8,10H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-imidazol-1-yl-2-(methylamino)pentanoic acid?
5-imidazol-1-yl-2-(methylamino)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 174175752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).