(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid

C11H19NO4 — CID 46201502

IUPAC(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C\CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4,6H,5,7-8H2,1-3H3,(H,12,15)(H,13,14)/b6-4-
InChIKeyNFJIAVGAIMKXID-XQRVVYSFSA-N
MW229.28 g/mol
LogP1.93
Rot. Bonds5

About (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid

(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid (PubChem CID 46201502) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
PubChem CID46201502
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C\CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4,6H,5,7-8H2,1-3H3,(H,12,15)(H,13,14)/b6-4-
InChIKeyNFJIAVGAIMKXID-XQRVVYSFSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((((Tert-butoxy)carbonyl)amino)methyl)pent-4-enoic acid
CID 22401194
4-Fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid
CID 87771553
4-Fluoro-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoic acid
CID 87772629
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
CID 11506879
(E)-5-(tert-Butoxycarbonylamino)-3-pentenoic acid
CID 10375978
(E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
CID 11424710
2-{[(Tert-butoxy)carbonyl]amino}-5-methylhex-4-enoic acid
CID 14163060
Boc-(S)-2-Amino-5-methylhex-4-enoic acid
CID 14163061
(E,2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
CID 15080571
[2-(t-Butoxycarbonylaminomethyl)-1,4-cyclohexadienyl]acetic acid
CID 15918136
(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
CID 19834017
(E)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
CID 19834056

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The IUPAC name of (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid (CID 46201502) is (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid.
What is the SMILES notation for (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The canonical SMILES for (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid is CC(C)(C)OC(=O)NC/C=C\CCC(=O)O.
What is the InChIKey of (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The InChIKey is NFJIAVGAIMKXID-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4,6H,5,7-8H2,1-3H3,(H,12,15)(H,13,14)/b6-4-.
What are the key properties of (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid is sourced from PubChem (CID 46201502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).