2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid

C15H18N4O5 — CID 82032789

IUPAC2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O
InChIInChI=1S/C15H18N4O5/c1-2-3-4-12(15(21)22)17-14(20)7-10-8-18-9-11(19(23)24)5-6-13(18)16-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,17,20)(H,21,22)
InChIKeyYVKVHCMKDKETPC-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.54
Rot. Bonds8

About 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid

2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid (PubChem CID 82032789) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
PubChem CID82032789
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O
InChIInChI=1S/C15H18N4O5/c1-2-3-4-12(15(21)22)17-14(20)7-10-8-18-9-11(19(23)24)5-6-13(18)16-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,17,20)(H,21,22)
InChIKeyYVKVHCMKDKETPC-UHFFFAOYSA-N
XLogP1.54
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(4-nitrophenyl)acetyl]amino]hexanoic acid
CID 107143905
(2S)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]hexanoic acid
CID 120614559
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120615238
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
(2S)-2-[[2-(3-nitrophenoxy)acetyl]amino]hexanoic acid
CID 120615208
(2S)-2-[(6-nitro-1H-benzimidazol-2-yl)amino]hexanoic acid
CID 122062755
2-[[2-(3-nitrophenyl)acetyl]amino]pentanoic acid
CID 115923925
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
(2S)-2-[(3-nitrophenyl)carbamoylamino]hexanoic acid
CID 107144866
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid (CID 82032789) is 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid is CCCCC(NC(=O)Cc1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O.
What is the InChIKey of 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid?
The InChIKey is YVKVHCMKDKETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-2-3-4-12(15(21)22)17-14(20)7-10-8-18-9-11(19(23)24)5-6-13(18)16-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid?
2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid has a molecular weight of 334.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82032789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).