(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid

C9H19N3O4 — CID 6992281

IUPAC(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid
SMILESN[C@@H](CCCCNC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChIKeyIMSOBGJSYSFTKG-BQBZGAKWSA-N
MW233.27 g/mol
LogP-1.43
Rot. Bonds9

About (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid

(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid (PubChem CID 6992281) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid
PubChem CID6992281
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid
SMILESN[C@@H](CCCCNC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChIKeyIMSOBGJSYSFTKG-BQBZGAKWSA-N
XLogP-1.43
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid (CID 6992281) is (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid is N[C@@H](CCCCNC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid?
The InChIKey is IMSOBGJSYSFTKG-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid?
(2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid has a molecular weight of 233.27 g/mol, XLogP of -1.43, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[[(2S)-2-amino-2-carboxyethyl]amino]hexanoic acid is sourced from PubChem (CID 6992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).