(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide

C12H18N4O3 — CID 25200925

IUPAC(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
SMILESNCCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m1/s1
InChIKeyVUUNELJIFNFWJC-LLVKDONJSA-N
MW266.30 g/mol
LogP0.99
Rot. Bonds7

About (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide

(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide (PubChem CID 25200925) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
PubChem CID25200925
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
SMILESNCCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m1/s1
InChIKeyVUUNELJIFNFWJC-LLVKDONJSA-N
XLogP0.99
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 158153530
(2R)-6-amino-N-(4-nitrophenyl)-2-(2-oxopropyl)hexanamide;tert-butyl N-[(5S)-5-amino-6-(4-nitroanilino)-6-oxohexyl]carbamate;tert-butyl N-[(5R)-5-[(4-nitrophenyl)carbamoyl]-7-oxooctyl]carbamate
CID 161324461
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
CID 22811857
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
(2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)hexanamide;hydrochloride
CID 14082457
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 22847699
(1S)-1-(4-nitrophenyl)pentane-1,5-diamine
CID 171217751
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid;2-(4-nitroanilino)-2-oxoacetic acid
CID 131731050
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide?
The IUPAC name of (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide (CID 25200925) is (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide is NCCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide?
The InChIKey is VUUNELJIFNFWJC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide?
(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide has a molecular weight of 266.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide is sourced from PubChem (CID 25200925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).