6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid

C11H17N3O3 — CID 146109150

IUPAC6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
SMILESC[C@@H](NC(=O)CCCCC(=O)O)c1ncc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(11-12-6-7-13-11)14-9(15)4-2-3-5-10(16)17/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyJLUJIMOYAYGXRF-MRVPVSSYSA-N
MW239.27 g/mol
LogP1.23
Rot. Bonds7

About 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid

6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid (PubChem CID 146109150) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
PubChem CID146109150
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
SMILESC[C@@H](NC(=O)CCCCC(=O)O)c1ncc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(11-12-6-7-13-11)14-9(15)4-2-3-5-10(16)17/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyJLUJIMOYAYGXRF-MRVPVSSYSA-N
XLogP1.23
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101
N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656612
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
CID 173197024
2-[[1-(1H-imidazol-2-yl)ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474702
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114512136
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid (CID 146109150) is 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid is C[C@@H](NC(=O)CCCCC(=O)O)c1ncc[nH]1.
What is the InChIKey of 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid?
The InChIKey is JLUJIMOYAYGXRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(11-12-6-7-13-11)14-9(15)4-2-3-5-10(16)17/h6-8H,2-5H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid?
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 146109150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).