2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid

C16H30N4O4 — CID 71592733

IUPAC2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid
SMILESC=C(C)C(=O)NCCCCC(N)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C16H30N4O4/c1-11(2)14(21)19-9-5-3-7-12(17)15(22)20-10-6-4-8-13(18)16(23)24/h12-13H,1,3-10,17-18H2,2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyOXAZKTCWQLAYDY-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.13
Rot. Bonds13

About 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid

2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid (PubChem CID 71592733) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid
PubChem CID71592733
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Name2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid
SMILESC=C(C)C(=O)NCCCCC(N)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C16H30N4O4/c1-11(2)14(21)19-9-5-3-7-12(17)15(22)20-10-6-4-8-13(18)16(23)24/h12-13H,1,3-10,17-18H2,2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyOXAZKTCWQLAYDY-UHFFFAOYSA-N
XLogP-0.13
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid with MolForge

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Related Compounds

N2-(2-Methylacryloyl)-L-lysine
CID 18634837
H-Lys(crotonyl)-OH
CID 91811002
(S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-(3-methylbut-2-enamido)hexanamido)propanoic acid
CID 52942684
6-Methacrylamidohexanoic acid
CID 100977
(S)-2-Amino-6-methacrylamidohexanoic acid
CID 18391586
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 132564433
(2S)-2-[[(2S)-2-azaniumyl-6-(2-methylprop-2-enoylamino)hexanoyl]amino]-6-(2-methylprop-2-enoylamino)hexanoate
CID 164671304
N-methacryloyl-glycylleucine
CID 53992817
(2S)-2-[[2-[[(2S)-2-azaniumyl-6-(2-methylprop-2-enoylamino)hexanoyl]amino]acetyl]amino]-6-(2-methylprop-2-enoylamino)hexanoate
CID 164671310
Hemoglobin Crosfumaril (Bovine)
CID 86278351
6-Amino-2-(2-methylprop-2-enoylamino)hexanoic acid
CID 10375952
6-[2-(Prop-2-enoylamino)hexanoylamino]hexanoic acid
CID 17935577

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid?
The IUPAC name of 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid (CID 71592733) is 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid is C=C(C)C(=O)NCCCCC(N)C(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid?
The InChIKey is OXAZKTCWQLAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-11(2)14(21)19-9-5-3-7-12(17)15(22)20-10-6-4-8-13(18)16(23)24/h12-13H,1,3-10,17-18H2,2H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid?
2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid has a molecular weight of 342.44 g/mol, XLogP of -0.13, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-amino-6-(2-methylprop-2-enoylamino)hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 71592733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).