(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid

C14H23NO4 — CID 155904262

IUPAC(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid
SMILESC=C/C=C/CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5-7,11H,1,8-10H2,2-4H3,(H,15,18)(H,16,17)/b7-6+/t11-/m1/s1
InChIKeyCEMVXENCQSPINE-XUIVZRPNSA-N
MW269.34 g/mol
LogP2.88
Rot. Bonds7

About (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid

(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid (PubChem CID 155904262) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid.

Molecular Properties

Compound Name(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid
PubChem CID155904262
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid
SMILESC=C/C=C/CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5-7,11H,1,8-10H2,2-4H3,(H,15,18)(H,16,17)/b7-6+/t11-/m1/s1
InChIKeyCEMVXENCQSPINE-XUIVZRPNSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid 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

(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(prop-2-enoylamino)hexanoic acid
CID 86044187
(2S)-6-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87274670
[4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-trimethylazanium
CID 87539933
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
5-(2-methoxyethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 103409961
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022
ethane;(4Z,5Z)-4-ethylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]octa-5,7-dienoic acid
CID 143072662
tert-butyl N-[(4E)-1-phenylhepta-4,6-dienyl]carbamate
CID 101201428

Frequently Asked Questions

What is the IUPAC name of (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid?
The IUPAC name of (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid (CID 155904262) is (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid.
What is the SMILES notation for (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid?
The canonical SMILES for (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid is C=C/C=C/CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid?
The InChIKey is CEMVXENCQSPINE-XUIVZRPNSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5-7,11H,1,8-10H2,2-4H3,(H,15,18)(H,16,17)/b7-6+/t11-/m1/s1.
What are the key properties of (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid?
(2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]nona-6,8-dienoic acid is sourced from PubChem (CID 155904262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).