(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid

C14H23N3O3 — CID 107562893

IUPAC(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
SMILESCCCC(CC(=O)N[C@H](CCC)C(=O)O)n1ccnc1
InChIInChI=1S/C14H23N3O3/c1-3-5-11(17-8-7-15-10-17)9-13(18)16-12(6-4-2)14(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyAETOWPCZCVKZDY-PIJUOVFKSA-N
MW281.36 g/mol
LogP1.98
Rot. Bonds9

About (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid

(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid (PubChem CID 107562893) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
PubChem CID107562893
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
SMILESCCCC(CC(=O)N[C@H](CCC)C(=O)O)n1ccnc1
InChIInChI=1S/C14H23N3O3/c1-3-5-11(17-8-7-15-10-17)9-13(18)16-12(6-4-2)14(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyAETOWPCZCVKZDY-PIJUOVFKSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
4-(3-imidazol-1-ylhexanoylamino)oxolane-3-carboxylic acid
CID 66223101
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid (CID 107562893) is (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid is CCCC(CC(=O)N[C@H](CCC)C(=O)O)n1ccnc1.
What is the InChIKey of (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid?
The InChIKey is AETOWPCZCVKZDY-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-11(17-8-7-15-10-17)9-13(18)16-12(6-4-2)14(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,18)(H,19,20)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid?
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid is sourced from PubChem (CID 107562893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).