(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid

C10H19N3O5 — CID 6427003

IUPAC(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
InChIKeyOAMLVOVXNKILLQ-BQBZGAKWSA-N
MW261.28 g/mol
LogP-1.51
Rot. Bonds9

About (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid (PubChem CID 6427003) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid
PubChem CID6427003
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
InChIKeyOAMLVOVXNKILLQ-BQBZGAKWSA-N
XLogP-1.51
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.51
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)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid (CID 6427003) is (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid is NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid?
The InChIKey is OAMLVOVXNKILLQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.51, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoic acid is sourced from PubChem (CID 6427003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).