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

C8H17N3O3 — CID 3080576

IUPAC(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyIKAIKUBBJHFNBZ-LURJTMIESA-N
MW203.24 g/mol
LogP-1.36
Rot. Bonds7

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

(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid (PubChem CID 3080576) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
PubChem CID3080576
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyIKAIKUBBJHFNBZ-LURJTMIESA-N
XLogP-1.36
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.36
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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Related Compounds

(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 18221080
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid
CID 145455653
5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 23290697
(4S)-8-amino-4-[(2-aminoacetyl)amino]-2-(2-aminoethyl)-3-oxooctanoic acid
CID 141423979
2-[[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18489136
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoic acid
CID 18486486
4-amino-2-[[4-amino-2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18489113
(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid
CID 51037326
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid (CID 3080576) is (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid is NCCCC[C@H](NC(=O)CN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid?
The InChIKey is IKAIKUBBJHFNBZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid?
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.36, 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-[(2-aminoacetyl)amino]hexanoic acid is sourced from PubChem (CID 3080576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).