2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

C14H25NO4 — CID 22250222

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyZVCMWNFQYIQWSY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds8

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (PubChem CID 22250222) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
PubChem CID22250222
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyZVCMWNFQYIQWSY-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(((tert-butoxy)carbonyl)amino)hex-5-enoic acid
CID 20765220
2-(r/s)-[(Tert-butoxycarbonyl)amino]-hexadecanoic acid
CID 15673745
(2S)-2-(((tert-butoxy)carbonyl)amino)-4-methylpent-4-enoic acid
CID 2755921
(2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-hexenoic acid
CID 11075189
2-{[(Tert-butoxy)carbonyl]amino}decanoic acid
CID 14599888
2-(Boc-amino)oct-7-enoic acid
CID 22556529
8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CID 66704134
2-{[(Tert-butoxy)carbonyl]amino}-8-oxononanoic acid
CID 122200626
2-(Tert-butoxycarbonylamino)icosanoic acid
CID 14599887
2-Acetamidonon-8-enoic acid
CID 16655536
7-Amino-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid
CID 20636802
(R,S)-Boc-2-amino-tetradecanoic acid
CID 2756016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (CID 22250222) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The InChIKey is ZVCMWNFQYIQWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is sourced from PubChem (CID 22250222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).