2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid

C10H17N3O4 — CID 71207510

IUPAC2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid
SMILESNC(CO)(C(=O)O)C(O)CCCc1cnc[nH]1
InChIInChI=1S/C10H17N3O4/c11-10(5-14,9(16)17)8(15)3-1-2-7-4-12-6-13-7/h4,6,8,14-15H,1-3,5,11H2,(H,12,13)(H,16,17)
InChIKeyRBHASDZGEFWXDO-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.13
Rot. Bonds7

About 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid

2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid (PubChem CID 71207510) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid
PubChem CID71207510
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid
SMILESNC(CO)(C(=O)O)C(O)CCCc1cnc[nH]1
InChIInChI=1S/C10H17N3O4/c11-10(5-14,9(16)17)8(15)3-1-2-7-4-12-6-13-7/h4,6,8,14-15H,1-3,5,11H2,(H,12,13)(H,16,17)
InChIKeyRBHASDZGEFWXDO-UHFFFAOYSA-N
XLogP-1.13
TPSA132.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid (CID 71207510) is 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid is NC(CO)(C(=O)O)C(O)CCCc1cnc[nH]1.
What is the InChIKey of 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid?
The InChIKey is RBHASDZGEFWXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-10(5-14,9(16)17)8(15)3-1-2-7-4-12-6-13-7/h4,6,8,14-15H,1-3,5,11H2,(H,12,13)(H,16,17).
What are the key properties of 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid?
2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.13, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(1H-imidazol-5-yl)hexanoic acid is sourced from PubChem (CID 71207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).