(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid

C8H14N4O2 — CID 10241837

IUPAC(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
SMILESNc1nccn1CCC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKeyWGFGZNVQMGCHHV-LURJTMIESA-N
MW198.23 g/mol
LogP-0.34
Rot. Bonds5

About (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid

(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid (PubChem CID 10241837) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
PubChem CID10241837
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
SMILESNc1nccn1CCC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKeyWGFGZNVQMGCHHV-LURJTMIESA-N
XLogP-0.34
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid (CID 10241837) is (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid is Nc1nccn1CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
The InChIKey is WGFGZNVQMGCHHV-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid?
(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid has a molecular weight of 198.23 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 10241837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).