(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide

C12H19N3O2 — CID 172827982

IUPAC(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H19N3O2/c13-8-4-3-5-9(14)12(17)15-10-6-1-2-7-11(10)16/h1-2,6-7,9,16H,3-5,8,13-14H2,(H,15,17)/t9-/m0/s1
InChIKeyVDCLSBMPMHGCTO-VIFPVBQESA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds6

About (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide

(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide (PubChem CID 172827982) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
PubChem CID172827982
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
SMILESNCCCC[C@H](N)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H19N3O2/c13-8-4-3-5-9(14)12(17)15-10-6-1-2-7-11(10)16/h1-2,6-7,9,16H,3-5,8,13-14H2,(H,15,17)/t9-/m0/s1
InChIKeyVDCLSBMPMHGCTO-VIFPVBQESA-N
XLogP0.79
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
(3S)-3-amino-4-(2-hydroxyanilino)-4-oxobutanoic acid
CID 70293663
(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
CID 156568497
(2S)-2,6-diamino-N-[2-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethynyl]phenyl]hexanamide
CID 71000877
(2S)-2,6-diamino-N-[2-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethynyl]phenyl]hexanamide;dihydrochloride
CID 71470278
N-(3-bromophenyl)-N'-[2-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]heptanediamide
CID 91971301
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
2,6-diamino-N-[3,5-bis(2-phenylethynyl)phenyl]hexanamide
CID 70974540
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide (CID 172827982) is (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide is NCCCC[C@H](N)C(=O)Nc1ccccc1O.
What is the InChIKey of (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide?
The InChIKey is VDCLSBMPMHGCTO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-4-3-5-9(14)12(17)15-10-6-1-2-7-11(10)16/h1-2,6-7,9,16H,3-5,8,13-14H2,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide?
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide has a molecular weight of 237.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide is sourced from PubChem (CID 172827982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).