(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid

C12H23N3O3 — CID 177090632

IUPAC(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)[C@H]1CCC[C@H]1N)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-7-2-1-6-10(12(17)18)15-11(16)8-4-3-5-9(8)14/h8-10H,1-7,13-14H2,(H,15,16)(H,17,18)/t8-,9+,10-/m0/s1
InChIKeyDVFLZAYELRBZIY-AEJSXWLSSA-N
MW257.33 g/mol
LogP-0.19
Rot. Bonds7

About (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid

(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid (PubChem CID 177090632) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid
PubChem CID177090632
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)[C@H]1CCC[C@H]1N)C(=O)O
InChIInChI=1S/C12H23N3O3/c13-7-2-1-6-10(12(17)18)15-11(16)8-4-3-5-9(8)14/h8-10H,1-7,13-14H2,(H,15,16)(H,17,18)/t8-,9+,10-/m0/s1
InChIKeyDVFLZAYELRBZIY-AEJSXWLSSA-N
XLogP-0.19
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid (CID 177090632) is (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid is NCCCC[C@H](NC(=O)[C@H]1CCC[C@H]1N)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid?
The InChIKey is DVFLZAYELRBZIY-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-7-2-1-6-10(12(17)18)15-11(16)8-4-3-5-9(8)14/h8-10H,1-7,13-14H2,(H,15,16)(H,17,18)/t8-,9+,10-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid?
(2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid has a molecular weight of 257.33 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(1S,2R)-2-aminocyclopentanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 177090632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).