(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid

C12H19N3O4 — CID 70501467

IUPAC(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid
SMILESCc1cc(=O)c(O)cn1NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-8-6-10(16)11(17)7-15(8)14-5-3-2-4-9(13)12(18)19/h6-7,9,14,17H,2-5,13H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyCULGMQJFKZNOKY-VIFPVBQESA-N
MW269.30 g/mol
LogP-0.01
Rot. Bonds7

About (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid

(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid (PubChem CID 70501467) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid
PubChem CID70501467
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid
SMILESCc1cc(=O)c(O)cn1NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-8-6-10(16)11(17)7-15(8)14-5-3-2-4-9(13)12(18)19/h6-7,9,14,17H,2-5,13H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyCULGMQJFKZNOKY-VIFPVBQESA-N
XLogP-0.01
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid with MolForge

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(methylamino)hexanoic acid;isocyanic acid
CID 118377535
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid (CID 70501467) is (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid is Cc1cc(=O)c(O)cn1NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid?
The InChIKey is CULGMQJFKZNOKY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8-6-10(16)11(17)7-15(8)14-5-3-2-4-9(13)12(18)19/h6-7,9,14,17H,2-5,13H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid?
(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 70501467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).