(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione

C9H17N3O4 — CID 70039490

IUPAC(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione
SMILESCCCC[C@H](N)C(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C6H13NO2.C3H4N2O2/c1-2-3-4-5(7)6(8)9;6-2-1-4-3(7)5-2/h5H,2-4,7H2,1H3,(H,8,9);1H2,(H2,4,5,6,7)/t5-;/m0./s1
InChIKeyAELXMJRDLFELIP-JEDNCBNOSA-N
MW231.25 g/mol
LogP-0.59
Rot. Bonds4

About (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione

(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione (PubChem CID 70039490) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione
PubChem CID70039490
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione
SMILESCCCC[C@H](N)C(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C6H13NO2.C3H4N2O2/c1-2-3-4-5(7)6(8)9;6-2-1-4-3(7)5-2/h5H,2-4,7H2,1H3,(H,8,9);1H2,(H2,4,5,6,7)/t5-;/m0./s1
InChIKeyAELXMJRDLFELIP-JEDNCBNOSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione?
The IUPAC name of (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione (CID 70039490) is (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione.
What is the SMILES notation for (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione?
The canonical SMILES for (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione is CCCC[C@H](N)C(=O)O.O=C1CNC(=O)N1.
What is the InChIKey of (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione?
The InChIKey is AELXMJRDLFELIP-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.C3H4N2O2/c1-2-3-4-5(7)6(8)9;6-2-1-4-3(7)5-2/h5H,2-4,7H2,1H3,(H,8,9);1H2,(H2,4,5,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione?
(2S)-2-aminohexanoic acid;imidazolidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;imidazolidine-2,4-dione is sourced from PubChem (CID 70039490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).